SCHEMBL7698939

SCHEMBL7698939

COc1ccc(N2Cc3ccc(Cn4sc5ccccc5c4=O)cc3C2=O)cc1OC(C)CCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.43
CASP3 P42574 4/20 0.42
HTR2C P28335 5/20 0.39
FAAH O00519 1/20 0.38
MGLL Q99685 1/20 0.38
HTR2A P28223 2/20 0.36
PDE4A P27815 3/20 0.35
PDE4B Q07343 3/20 0.35
PDE4C Q08493 3/20 0.35
PDE4D Q08499 3/20 0.35
PIK3CG P48736 1/20 0.35
HTR2B P41595 1/20 0.34

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
SCHEMBL7696591 0.83 MCHR1 (0.49) MCHR1HTR2CHTR2APDE4APDE4B
SCHEMBL7698181 0.83 MCHR1 (0.49) MCHR1HTR2CHTR2APDE4APDE4B
SCHEMBL7699175 0.81 MCHR1 (0.45) MCHR1HTR2CHTR2APDE4APDE4B
SCHEMBL7701165 0.81 HTR2C (0.56) MCHR1HTR2CPDE4APDE4BPDE4C
SCHEMBL7700748 0.81 MCHR1 (0.44) MCHR1HTR2CHTR2APDE4APDE4B
SCHEMBL7692409 0.80 MCHR1 (0.44) MCHR1HTR2CHTR2APDE4APDE4B
SCHEMBL7694465 0.78 MPI (0.50) CASP3PDE4APDE4BPDE4CPDE4D
SCHEMBL7700309 0.78 MCHR1 (0.44) MCHR1HTR2CHTR2APDE4APDE4B
SCHEMBL7692463 0.78 MCHR1 (0.44) MCHR1HTR2CHTR2APDE4APDE4B
SCHEMBL7701516 0.78 MCHR1 (0.42) MCHR1HTR2CHTR2APDE4APDE4B

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-2002081447-A1 3-CYCLOPENTYLOXY-4-METHOXYPHENYL-ISOTHIAZOLINONE DERIVATIVES AND THE USE THEREOF DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2002-10-17 WO disclosed