SCHEMBL6879037

SCHEMBL6879037

Cc1cc(N(C)C)nc(N[C@H]2CC[C@@H](CNC(=O)c3ccc(OC(F)(F)F)cc3)CC2)n1

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 18/20 0.79
ADRA2A P08913 6/20 0.56
HRH1 P35367 4/20 0.56
ADRA1A P35348 4/20 0.56
HTR2B P41595 4/20 0.56
CNR1 P21554 1/20 0.53
KCNH2 Q12809 1/20 0.53
AURKB Q96GD4 1/20 0.53
HTR1A P08908 1/20 0.49
NPY5R Q15761 1/20 0.48
CXCR3 P49682 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
SCHEMBL6879042 1.00 MCHR1 (0.79) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6875866 0.91 MCHR1 (0.69) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6875870 0.91 MCHR1 (0.69) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6875864 0.89 MCHR1 (0.74) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6875955 0.89 MCHR1 (0.77) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6875948 0.89 MCHR1 (0.77) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6875868 0.89 MCHR1 (0.74) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6868500 0.88 MCHR1 (1.00) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6868504 0.88 MCHR1 (1.00) MCHR1ADRA2AHRH1ADRA1AHTR2B
Hydrochloric Acid SCHEMBL6457983 0.87 MCHR1 (0.98) 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