Flibanserin

Flibanserin

SCHEMBL19743151

O.O=c1[nH]c2ccccc2n1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.98

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO

The experimentally established mechanism targets of Flibanserin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A known ✓ P08908 5/20 0.98
ADRA2A known ✓ P08913 1/20 0.98
ADORA3 known ✓ P0DMS8 1/20 0.98
CHRM1 known ✓ P11229 1/20 0.98
SLC6A4 known ✓ P31645 1/20 0.98
ADRA1A known ✓ P35348 1/20 0.98
OPRM1 known ✓ P35372 1/20 0.98
DRD3 known ✓ P35462 1/20 0.98
HTR7 known ✓ P34969 8/20 0.70
SIGMAR1 known ✓ Q99720 2/20 0.57
DRD2 known ✓ P14416 3/20 0.56
HTR2A known ✓ P28223 2/20 0.56
ABCB11 O95342 1/20 0.98
DRD1 P21728 1/20 0.98
TBXA2R P21731 1/20 0.98
KCNH2 Q12809 1/20 0.98
NPSR1 Q6W5P4 2/20 0.57
LMNA P02545 2/20 0.54
TP53 P04637 2/20 0.54
MAPT P10636 2/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Flibanserin SCHEMBL19743166 1.00 HTR1A (0.98) HTR1AABCB11ADRA2AADORA3CHRM1
Flibanserin SCHEMBL247579 0.99 HTR1A (1.00) HTR1AABCB11ADRA2AADORA3CHRM1
Flibanserin SCHEMBL29399513 0.99 HTR1A (1.00) HTR1AABCB11ADRA2AADORA3CHRM1
Flibanserin SCHEMBL30249132 0.99 HTR1A (1.00) HTR1AABCB11ADRA2AADORA3CHRM1
Flibanserin SCHEMBL2526226 0.98 HTR1A (0.98) HTR1AABCB11ADRA2AADORA3CHRM1
Flibanserin SCHEMBL563586 0.98 HTR1A (0.98) HTR1AABCB11ADRA2AADORA3CHRM1
SCHEMBL8123196 0.95 HTR1A (0.92) HTR1AABCB11ADRA2AADORA3CHRM1
Flibanserin SCHEMBL2521706 0.94 HTR1A (0.90) HTR1AABCB11ADRA2AADORA3CHRM1
Flibanserin SCHEMBL2525812 0.94 HTR1A (0.90) HTR1AABCB11ADRA2AADORA3CHRM1
SCHEMBL8121051 0.93 HTR1A (0.88) HTR1AABCB11ADRA2AADORA3CHRM1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107778250-A flibanserin compound 天津市汉康医药生物技术有限公司 2018-03-09 CN claimed
US-20170369475-A1 Flibanserin Hydrate SANDOZ AG (CH) 2017-12-28 US claimed
CN-107778250-A flibanserin compound 天津市汉康医药生物技术有限公司 2018-03-09 CN disclosed
CN-107778250-A flibanserin compound 天津市汉康医药生物技术有限公司 2018-03-09 CN disclosed
US-20170369475-A1 Flibanserin Hydrate SANDOZ AG (CH) 2017-12-28 US disclosed
US-20170369475-A1 Flibanserin Hydrate SANDOZ AG (CH) 2017-12-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170369475-A1 Flibanserin Hydrate FLNB, HTR1D, HTR5A HTR1A 45/4885ADRA2A 201/4885ADORA3 194/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.