SCHEMBL5249481

SCHEMBL5249481

c1ccc(COc2ccc(C3CCCCC3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.60
MRGPRX4 Q96LA9 1/20 0.56
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
PTGS1 P23219 1/20 0.53
SLC6A2 P23975 1/20 0.53
CYP2C19 P33261 1/20 0.53
PTGS2 P35354 1/20 0.53
SLC6A3 Q01959 1/20 0.53
HIF1A Q16665 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 1/20 0.52
KMT2A Q03164 1/20 0.52
MAOB P27338 5/20 0.51
RAB9A P51151 2/20 0.51
MAOA P21397 2/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL7668635 0.95 HRH3 (0.56) HRH3MRGPRX4LMNACYP1A2PTGS1
SCHEMBL21615694 0.93 HRH3 (0.60) HRH3MRGPRX4LMNACYP1A2PTGS1
SCHEMBL10272647 0.91 MRGPRX4 (0.64) MRGPRX4LMNACYP1A2PTGS1SLC6A2
SCHEMBL23483168 0.89 HRH3 (0.56) HRH3MRGPRX4SMN1; SMN2KDM4EKMT2A
SCHEMBL15546216 0.87 MAPT (0.64) HRH3KDM4EKMT2ARAB9AGAA
SCHEMBL4332979 0.86 FOXM1 (0.55) HRH3MRGPRX4SMN1; SMN2KDM4EKMT2A
SCHEMBL22139428 0.85 HRH3 (0.62) HRH3MRGPRX4LMNACYP1A2PTGS1
SCHEMBL5555630 0.84 FOXM1 (0.56) HRH3MRGPRX4SMN1; SMN2KDM4EKMT2A
SCHEMBL23785448 0.84 HRH3 (0.52) HRH3MRGPRX4MAOBRAB9AFOXM1
SCHEMBL24066732 0.84 HRH3 (0.57) HRH3MRGPRX4FOXM1KCNH2

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
EP-1833806-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS AstraZeneca AB (SE) 2007-09-19 EP disclosed
WO-2006064189-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2006-06-22 WO disclosed
EP-1507763-A1 TETRAHYDROISOQUINOLINE DERIVATIVES Bayer HealthCare AG (DE) 2005-02-23 EP disclosed
WO-2003097607-A1 TETRAHYDROISOQUINOLINE DERIVATIVES BAYER HEALTHCARE AG (DE) 2003-11-27 WO disclosed
US-4480052-A COLORLESS DYE, PHENOL DERIVATIVE FUJI PHOTO FILM CO., LTD. (JP) 1984-10-30 US disclosed
US-4471073-A FATTY AMIDES, BISPHENOL COMPOUNDS, DYES FUJI PHOTO FILM CO., LTD. (JP) 1984-09-11 US disclosed