SCHEMBL6875474

SCHEMBL6875474

COc1ccc(NC(=O)NC2CCC(Nc3nccc(N(C)C)n3)CC2)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.50
AURKB Q96GD4 2/20 0.48
CNR1 P21554 1/20 0.48
KCNH2 Q12809 1/20 0.48
AXL P30530 1/20 0.43
MERTK Q12866 1/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
ADRA2A P08913 2/20 0.41
HRH1 P35367 2/20 0.41
HTR2B P41595 2/20 0.41
ADRA1A P35348 1/20 0.41
RAB9A P51151 1/20 0.41
HTT P42858 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
RIPK2 O43353 1/20 0.40
ERN1 O75460 1/20 0.40

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
SCHEMBL6875466 1.00 MCHR1 (0.50) MCHR1AURKBCNR1KCNH2AXL
SCHEMBL6867012 0.92 MAPT (0.52) MCHR1AURKBCNR1KCNH2MAPT
SCHEMBL6867007 0.92 MAPT (0.52) MCHR1AURKBCNR1KCNH2MAPT
SCHEMBL6875924 0.89 MCHR1 (0.46) MCHR1AURKBCNR1KCNH2AXL
SCHEMBL6875932 0.89 MCHR1 (0.46) MCHR1AURKBCNR1KCNH2AXL
SCHEMBL6464781 0.87 MCHR1 (0.51) MCHR1MAPTLMNAADRA2AHRH1
SCHEMBL6458011 0.87 HTT (0.47) MCHR1AURKBCNR1KCNH2ADRA2A
SCHEMBL6458020 0.87 HTT (0.47) MCHR1AURKBCNR1KCNH2ADRA2A
SCHEMBL6464777 0.87 MCHR1 (0.51) MCHR1MAPTLMNAADRA2AHRH1
SCHEMBL6872847 0.84 EPHX2 (0.47) MCHR1AURKBADRA2AHRH1HTR2B

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
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP disclosed