SCHEMBL7698181

SCHEMBL7698181

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

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.49
HTR2C P28335 8/20 0.44
PDE4A P27815 3/20 0.42
PDE4B Q07343 3/20 0.42
PDE4C Q08493 3/20 0.42
PDE4D Q08499 3/20 0.42
HTR2A P28223 2/20 0.41
PIK3CG P48736 1/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
HTR2B P41595 2/20 0.38

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 0.91 MCHR1 (0.49) MCHR1HTR2CPDE4APDE4BPDE4C
SCHEMBL7701165 0.89 HTR2C (0.56) MCHR1HTR2CPDE4APDE4BPDE4C
SCHEMBL8711752 0.87 MCHR1 (0.47) MCHR1HTR2CPDE4APDE4BPDE4C
SCHEMBL7699175 0.86 MCHR1 (0.45) MCHR1HTR2CPDE4APDE4BPDE4C
SCHEMBL7700748 0.85 MCHR1 (0.44) MCHR1HTR2CPDE4APDE4BPDE4C
SCHEMBL7692409 0.84 MCHR1 (0.44) MCHR1HTR2CPDE4APDE4BPDE4C
SCHEMBL7694961 0.84 MCHR1 (0.47) MCHR1HTR2CPDE4APDE4BPDE4C
SCHEMBL8707504 0.84 HTR2C (0.53) MCHR1HTR2CHTR2APIK3CGNR1H2
SCHEMBL7697705 0.84 MCHR1 (0.44) MCHR1HTR2CPDE4APDE4BPDE4C
SCHEMBL7693775 0.84 MCHR1 (0.44) MCHR1HTR2CPDE4APDE4BPDE4C

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 2 patents. 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
WO-1998042666-A1 NOVEL 3,4-DIALKOXYPHENYL DERIVATIVES AND THE USE THEREOF DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 1998-10-01 WO disclosed