SCHEMBL6875892

SCHEMBL6875892

Cc1cc(N(C)C)nc(NC2CCC(C(=O)NC(C)(C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)n1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 18/20 0.68
ADRA2A P08913 5/20 0.68
HRH1 P35367 3/20 0.68
ADRA1A P35348 3/20 0.68
HTR2B P41595 3/20 0.49
CNR1 P21554 1/20 0.48
KCNH2 Q12809 1/20 0.48
AURKB Q96GD4 1/20 0.48
HTR1A P08908 1/20 0.41
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
EPHX2 P34913 1/20 0.36

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
SCHEMBL6875887 1.00 MCHR1 (0.68) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6880589 0.88 MCHR1 (0.74) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6880583 0.88 MCHR1 (0.74) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6878468 0.85 MCHR1 (0.66) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6878463 0.85 MCHR1 (0.66) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6459866 0.85 MCHR1 (0.66) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6459871 0.85 MCHR1 (0.66) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6460412 0.81 MCHR1 (1.00) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6460407 0.81 MCHR1 (1.00) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6462425 0.81 MCHR1 (0.64) MCHR1ADRA2AHRH1ADRA1AHTR2B

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