SCHEMBL9743002

SCHEMBL9743002

O=C1c2ccc(Cl)cc2C2(c3cccc(C(F)(F)F)c3)CCCN12

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 5/20 0.46
EPHX2 P34913 1/20 0.40
OPRL1 P41146 3/20 0.37
SLC6A4 P31645 3/20 0.37
MAPT P10636 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
SLC6A3 Q01959 2/20 0.35
SLC6A2 P23975 1/20 0.35

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
SCHEMBL9744852 0.91 CHRM5 (0.44) CHRM5EPHX2OPRL1SLC6A4MAPT
SCHEMBL9743820 0.88 CHRM5 (0.45) CHRM5EPHX2OPRL1HRH3
SCHEMBL9742794 0.87 HTT (0.40) CHRM5SLC6A4MAPTSLC6A3SLC6A2
SCHEMBL9738601 0.86 CHRM5 (0.53) CHRM5SLC6A4MAPTOPRM1
SCHEMBL9743551 0.85 PSEN1 (0.40) CHRM5MAPTOPRM1
SCHEMBL9743860 0.84 HTT (0.41) CHRM5MAPT
SCHEMBL9745487 0.83 SMN1; SMN2 (0.38) CHRM5MAPT
SCHEMBL9741939 0.81 SMN1; SMN2 (0.43) CHRM5
SCHEMBL9742640 0.80 CHRM5 (0.46) CHRM5SLC6A4SLC6A3SLC6A2
SCHEMBL9743255 0.79 CHRM5 (0.40) CHRM5

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-1992016529-A1 NOVEL ISOINDOLE DERIVATIVES AND MEDICAMENTS CONTAINING THEM BOEHRINGER MANNHEIM GMBH (DE) 1992-10-01 WO disclosed