SCHEMBL6874436

SCHEMBL6874436

CCCc1c(CNC[C@H]2CC[C@@H](Nc3nc4c(c(N(C)C)n3)CCCC4)CC2)cnn1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.42
ADRA2A P08913 7/20 0.42
NPY5R Q15761 4/20 0.42
MAPK14 Q16539 3/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
HTR2B P41595 1/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPK1 P28482 2/20 0.33
MAPT P10636 2/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL6874439 1.00 MCHR1 (0.42) MCHR1ADRA2ANPY5RMAPK14ADRA1A
SCHEMBL6459327 0.92 MCHR1 (0.37) MCHR1ADRA2ANPY5RMAPK14ADRA1A
SCHEMBL6880134 0.92 MCHR1 (0.37) MCHR1ADRA2ANPY5RMAPK14ADRA1A
SCHEMBL13793380 0.87 MCHR1 (0.55) MCHR1ADRA2ANPY5RADRA1AHRH1
SCHEMBL13795362 0.82 MCHR1 (0.52) MCHR1ADRA2ANPY5RADRA1AHRH1
SCHEMBL6869135 0.81 MCHR1 (0.46) MCHR1ADRA2ANPY5RADRA1AHRH1
SCHEMBL6869130 0.81 MCHR1 (0.46) MCHR1ADRA2ANPY5RADRA1AHRH1
SCHEMBL6874138 0.80 MCHR1 (0.46) MCHR1ADRA2ANPY5RADRA1AHRH1
SCHEMBL6874132 0.80 MCHR1 (0.46) MCHR1ADRA2ANPY5RADRA1AHRH1
SCHEMBL6455286 0.79 NPY5R (0.33) MCHR1ADRA2ANPY5RMAPK14ALDH1A1

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