SCHEMBL6875110

SCHEMBL6875110

COc1ccc(C(=O)NC2CCC(Nc3nccc(N(C)C)n3)CC2)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 17/20 0.57
CNR1 P21554 1/20 0.54
KCNH2 Q12809 1/20 0.54
AURKB Q96GD4 1/20 0.54
ADRA2A P08913 8/20 0.53
HRH1 P35367 7/20 0.53
HTR2B P41595 6/20 0.53
ADRA1A P35348 4/20 0.52
EGFR P00533 1/20 0.47
LRRK2 Q5S007 1/20 0.46

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
SCHEMBL6875097 1.00 MCHR1 (0.57) MCHR1CNR1KCNH2AURKBADRA2A
SCHEMBL6874840 0.90 CNR1 (0.56) MCHR1CNR1KCNH2AURKBADRA2A
SCHEMBL6874831 0.90 CNR1 (0.56) MCHR1CNR1KCNH2AURKBADRA2A
SCHEMBL6459485 0.90 SMPD1 (0.52) MCHR1CNR1KCNH2AURKBADRA2A
SCHEMBL6459478 0.90 SMPD1 (0.52) MCHR1CNR1KCNH2AURKBADRA2A
SCHEMBL6457530 0.88 MCHR1 (0.51) MCHR1CNR1KCNH2AURKBADRA2A
SCHEMBL6457517 0.88 MCHR1 (0.51) MCHR1CNR1KCNH2AURKBADRA2A
SCHEMBL6458663 0.86 CNR1 (0.73) MCHR1CNR1KCNH2AURKBADRA2A
SCHEMBL6458683 0.86 CNR1 (0.73) MCHR1CNR1KCNH2AURKBADRA2A
SCHEMBL6455862 0.85 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