SCHEMBL6868412

SCHEMBL6868412

CN(C)c1nc(NC2CCC(NC(=O)Nc3ccc(Br)cc3C(F)(F)F)CC2)nc2c1CCCC2

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 17/20 0.44
ADRA2A P08913 13/20 0.44
HTT P42858 1/20 0.41
NPY5R Q15761 4/20 0.40
GAA P10253 1/20 0.38
ADRA1A P35348 4/20 0.37
HTR2B P41595 4/20 0.37
HRH1 P35367 4/20 0.37
HTR1A P08908 2/20 0.37

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
SCHEMBL6868409 1.00 MCHR1 (0.44) MCHR1ADRA2AHTTNPY5RGAA
SCHEMBL6875970 0.90 MCHR1 (0.43) MCHR1ADRA2AHTTNPY5RGAA
SCHEMBL6875973 0.90 MCHR1 (0.43) MCHR1ADRA2AHTTNPY5RGAA
SCHEMBL6463916 0.90 MCHR1 (0.41) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6463929 0.90 MCHR1 (0.41) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6875347 0.89 MCHR1 (0.43) MCHR1ADRA2AHTTNPY5RADRA1A
SCHEMBL6875350 0.89 MCHR1 (0.43) MCHR1ADRA2AHTTNPY5RADRA1A
SCHEMBL6462309 0.89 MCHR1 (0.45) MCHR1ADRA2AHTTNPY5RADRA1A
SCHEMBL6464523 0.89 MCHR1 (0.45) MCHR1ADRA2AHTTNPY5RGAA
SCHEMBL6464517 0.89 MCHR1 (0.45) MCHR1ADRA2AHTTNPY5RGAA

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