SCHEMBL6875864

SCHEMBL6875864

COc1ccc(C(=O)NC[C@H]2CC[C@@H](Nc3nc(C)cc(N(C)C)n3)CC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 17/20 0.74
CNR1 P21554 1/20 0.64
KCNH2 Q12809 1/20 0.64
AURKB Q96GD4 1/20 0.64
ADRA2A P08913 5/20 0.60
HRH1 P35367 4/20 0.60
HTR2B P41595 4/20 0.60
ADRA1A P35348 4/20 0.60
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
RECQL P46063 1/20 0.47
KMT2A Q03164 1/20 0.47
HTR1A P08908 1/20 0.46
CXCR3 P49682 1/20 0.45

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
SCHEMBL6875868 1.00 MCHR1 (0.74) MCHR1CNR1KCNH2AURKBADRA2A
SCHEMBL6868328 0.91 CNR1 (0.77) MCHR1CNR1KCNH2AURKBADRA2A
SCHEMBL6868340 0.91 CNR1 (0.77) MCHR1CNR1KCNH2AURKBADRA2A
SCHEMBL6873055 0.90 MCHR1 (0.79) MCHR1CNR1KCNH2AURKBADRA2A
SCHEMBL6873060 0.90 MCHR1 (0.79) MCHR1CNR1KCNH2AURKBADRA2A
SCHEMBL6879037 0.89 MCHR1 (0.79) MCHR1CNR1KCNH2AURKBADRA2A
SCHEMBL6879042 0.89 MCHR1 (0.79) MCHR1CNR1KCNH2AURKBADRA2A
SCHEMBL6463960 0.89 MCHR1 (0.84) MCHR1CNR1KCNH2AURKBADRA2A
SCHEMBL6463956 0.89 MCHR1 (0.84) MCHR1CNR1KCNH2AURKBADRA2A
SCHEMBL6867618 0.89 MCHR1 (0.76) MCHR1CNR1KCNH2AURKBADRA2A

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