SCHEMBL9543545

SCHEMBL9543545

CCOc1ccc(-c2ccc(CCC3CCC(/C=C/Cl)CC3)cc2)cc1.COc1ccc(-c2ccc(CCC3CCC(/C=C/Cl)CC3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.42
OPRM1 P35372 1/20 0.38
MCHR1 Q99705 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL8963087 0.95 GRM2 (0.39) MAOBKCNH2
SCHEMBL8963096 0.95 GRM2 (0.39) MAOBKCNH2
SCHEMBL8963063 0.93 MAOB (0.47) MAOBKCNH2
SCHEMBL8963071 0.93 MAOB (0.47) MAOBKCNH2
SCHEMBL8962942 0.86 LMNA (0.39) KCNH2
SCHEMBL8962937 0.86 LMNA (0.39) KCNH2
SCHEMBL8963130 0.81 MAOB (0.44) MAOB
SCHEMBL8963138 0.81 MAOB (0.44) MAOB
SCHEMBL8962736 0.81 GPR84 (0.36) MAOB
SCHEMBL8962731 0.81 GPR84 (0.36) MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993007234-A1 HALOVINYL-DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1993-04-15 WO disclosed