SCHEMBL6875870

SCHEMBL6875870

Cc1cc(N(C)C)nc(NC2CCC(CNC(=O)c3cccc(OC(F)(F)F)c3)CC2)n1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 19/20 0.69
CNR1 P21554 1/20 0.53
KCNH2 Q12809 1/20 0.53
AURKB Q96GD4 1/20 0.53
ADRA2A P08913 6/20 0.52
HRH1 P35367 4/20 0.52
ADRA1A P35348 4/20 0.52
HTR2B P41595 4/20 0.50
NPY5R Q15761 1/20 0.48
HTR1A P08908 1/20 0.47

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
SCHEMBL6875866 1.00 MCHR1 (0.69) MCHR1CNR1KCNH2AURKBADRA2A
SCHEMBL6879042 0.91 MCHR1 (0.79) MCHR1CNR1KCNH2AURKBADRA2A
SCHEMBL6879037 0.91 MCHR1 (0.79) MCHR1CNR1KCNH2AURKBADRA2A
SCHEMBL6464322 0.89 MCHR1 (0.81) MCHR1CNR1KCNH2AURKBADRA2A
SCHEMBL6464331 0.89 MCHR1 (0.81) MCHR1CNR1KCNH2AURKBADRA2A
SCHEMBL6867687 0.88 MCHR1 (0.57) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6867682 0.88 MCHR1 (0.57) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6877797 0.87 MCHR1 (0.72) MCHR1CNR1KCNH2AURKBADRA2A
SCHEMBL6877801 0.87 MCHR1 (0.72) MCHR1CNR1KCNH2AURKBADRA2A
SCHEMBL6880861 0.87 MCHR1 (0.65) 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