SCHEMBL7697705

SCHEMBL7697705

COc1ccc(N2Cc3ccc(CN4C(=O)c5cnc(N)cc5C4=O)cc3C2=O)cc1OC(C)CCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.44
HTR2C P28335 4/20 0.40
HTR2A P28223 2/20 0.37
PDE4A P27815 3/20 0.36
PDE4B Q07343 3/20 0.36
PDE4C Q08493 3/20 0.36
PDE4D Q08499 3/20 0.36
UTS2R Q9UKP6 2/20 0.36
PIK3CG P48736 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
HTR2B P41595 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 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
SCHEMBL7692463 0.93 MCHR1 (0.44) MCHR1HTR2CHTR2APDE4APDE4B
SCHEMBL7697825 0.92 MCHR1 (0.43) MCHR1HTR2CHTR2APDE4APDE4B
SCHEMBL7699738 0.91 MCHR1 (0.42) MCHR1HTR2CHTR2APDE4APDE4B
SCHEMBL7694128 0.91 MCHR1 (0.42) MCHR1HTR2CHTR2APDE4APDE4B
SCHEMBL7693775 0.90 MCHR1 (0.44) MCHR1HTR2CHTR2APDE4APDE4B
SCHEMBL7697186 0.90 MCHR1 (0.41) MCHR1HTR2CHTR2APDE4APDE4B
SCHEMBL7692409 0.87 MCHR1 (0.44) MCHR1HTR2CHTR2APDE4APDE4B
SCHEMBL7698418 0.84 PDE4A (0.41) MCHR1PDE4APDE4BPDE4CPDE4D
SCHEMBL7698181 0.84 MCHR1 (0.49) MCHR1HTR2CHTR2APDE4APDE4B
SCHEMBL7698640 0.83 MCHR1 (0.43) 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-2002081446-A1 3-CYCLOPENTYLOXY-4-METHOXYPHENYL-ISOINDOLINONE DERIVATIVES AND THE USE THEREOF DAEWOONG CO., LTD. (KR) 2002-10-17 WO disclosed