SCHEMBL7700748

SCHEMBL7700748

COc1ccc(N2Cc3ccc(CN4Cc5ccc(F)cc5C4=O)cc3C2=O)cc1OC(C)CCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.44
HTR2C P28335 3/20 0.40
PIK3CG P48736 1/20 0.38
KCNH2 Q12809 3/20 0.38
TMEM97 Q5BJF2 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
HTR2A P28223 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PDE4A P27815 3/20 0.37
PDE4B Q07343 3/20 0.37
PDE4C Q08493 3/20 0.37
PDE4D Q08499 3/20 0.37
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
ADAM17 P78536 1/20 0.35
PARK7 Q99497 1/20 0.35
KMT2A Q03164 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 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
SCHEMBL7699175 0.91 MCHR1 (0.45) MCHR1HTR2CPIK3CGHTR2ANPC1
SCHEMBL7700309 0.91 MCHR1 (0.44) MCHR1HTR2CPIK3CGHTR2APDE4A
SCHEMBL7701516 0.88 MCHR1 (0.42) MCHR1HTR2CPIK3CGHTR2ANPC1
SCHEMBL7693775 0.88 MCHR1 (0.44) MCHR1HTR2CPIK3CGHTR2APDE4A
SCHEMBL7699082 0.87 MCHR1 (0.43) MCHR1HTR2CPIK3CGHTR2APDE4A
SCHEMBL7695681 0.86 PDE4A (0.42) MCHR1HTR2CNPC1RAB9APDE4A
SCHEMBL7700767 0.86 MCHR1 (0.42) MCHR1HTR2CPIK3CGHTR2APDE4A
SCHEMBL7700852 0.85 PDE4A (0.43) MCHR1HTR2CPIK3CGHTR2APDE4A
SCHEMBL7696591 0.85 MCHR1 (0.49) MCHR1HTR2CPIK3CGHTR2ANPC1
SCHEMBL7698181 0.85 MCHR1 (0.49) MCHR1HTR2CPIK3CGHTR2ANPC1

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