SCHEMBL5723092

SCHEMBL5723092

CCCCCCCCOc1ccc(-c2c(F)c(F)cc3c(F)c(CCCCCCCC)ccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.46
HTR1A P08908 5/20 0.41
HTR1D P28221 5/20 0.41
HTR1B P28222 5/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HTR2A P28223 1/20 0.41
CYP2C19 P33261 1/20 0.41
CNR1 P21554 4/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL7558756 0.91 CNR2 (0.46) CNR2HTR1AHTR1DHTR1BMAPT
SCHEMBL5722627 0.84 TYR (0.54) CNR2MAPTTDP1KDM4ETP53
SCHEMBL9494273 0.82 RARB (0.47) CNR2TP53CYP1A2CYP3A4CYP2D6
SCHEMBL5722885 0.81 MEN1 (0.43) MAPTMAPK1TP53CYP3A4MEN1
SCHEMBL5722703 0.78 RARB (0.39) HTR1AHTR1DHTR1BMAPTTDP1
SCHEMBL27510145 0.76 CNR2 (0.49) CNR2HTR1AHTR1DHTR1BMAPT
SCHEMBL8903027 0.76 CNR2 (0.49) CNR2HTR1AHTR1DHTR1BMAPT
SCHEMBL7557837 0.76 RARB (0.45) HTR1AHTR1DHTR1BMAPTTDP1
SCHEMBL27510517 0.76 CNR2 (0.49) CNR2HTR1AHTR1DHTR1BMAPT
SCHEMBL27491273 0.76 CNR2 (0.49) CNR2HTR1AHTR1DHTR1BMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1028944-B1 FLUORINATED NAPHTHALENE DERIVATIVES AND THEIR USE IN LIQUID CRYSTAL MIXTURES AVENTIS RES & TECH GMBH & CO (DE) 2006-01-11 EP disclosed
US-6491989-B1 6,7-DIFLUORO-1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES, 1,1,6,7-TETRAFLUORO-1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES, 1,6,7-TRIFLUORONAPHTHALENE DERIVATIVES AND 2,3-DIFLUORONAPHTHALENE DERIVATIVES AVENTIS RESEACH & TECHNOLOGIES GMBH & CO. KG (DE) 2002-12-10 US disclosed
EP-1028944-A1 FLUORINATED NAPHTHALENE DERIVATIVES AND THEIR USE IN LIQUID CRYSTAL MIXTURES Aventis Research & Technologies GmbH & Co. KG (DE) 2000-08-23 EP disclosed
WO-1999023074-A1 FLUORINATED NAPHTHALENE DERIVATIVES AND THEIR USE IN LIQUID CRYSTAL MIXTURES AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 1999-05-14 WO disclosed