SCHEMBL6877797

SCHEMBL6877797

Cc1cc(N(C)C)nc(N[C@H]2CC[C@@H](CNC(=O)c3cccc(C(F)(F)F)c3)CC2)n1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 18/20 0.72
ADRA2A P08913 6/20 0.64
ADRA1A P35348 4/20 0.64
HRH1 P35367 4/20 0.64
HTR2B P41595 4/20 0.58
HTR1A P08908 1/20 0.58
CNR1 P21554 1/20 0.49
KCNH2 Q12809 1/20 0.49
AURKB Q96GD4 1/20 0.49
CCR2 P41597 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
SCHEMBL6877801 1.00 MCHR1 (0.72) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6455678 0.91 MCHR1 (0.78) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6875955 0.91 MCHR1 (0.77) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6455686 0.91 MCHR1 (0.78) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6875948 0.91 MCHR1 (0.77) MCHR1ADRA2AADRA1AHRH1HTR2B
Hydrochloric Acid SCHEMBL6463336 0.90 MCHR1 (0.76) MCHR1ADRA2AADRA1AHRH1HTR2B
Hydrochloric Acid SCHEMBL6463339 0.90 MCHR1 (0.76) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6464945 0.88 MCHR1 (0.82) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6464940 0.88 MCHR1 (0.82) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6875866 0.87 MCHR1 (0.69) MCHR1ADRA2AADRA1AHRH1HTR2B

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