SCHEMBL6876501

SCHEMBL6876501

CN(C)c1nc(NC2CCC(NC(=O)NC3CCCC3)CC2)nc2c1CCCC2

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.43
ADRA2A P08913 13/20 0.43
HRH1 P35367 5/20 0.43
HTR2B P41595 5/20 0.43
ADRA1A P35348 3/20 0.42
HPGD P15428 2/20 0.42
TSHR P16473 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
EPHX1 P07099 1/20 0.39
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
MAPK10 P53779 1/20 0.39
HTR1A P08908 1/20 0.39
NPY5R Q15761 1/20 0.39

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
SCHEMBL6876495 1.00 MCHR1 (0.43) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6876804 0.99 MCHR1 (0.43) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6876811 0.99 MCHR1 (0.43) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6874615 0.90 MAPK8 (0.45) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6874610 0.90 MAPK8 (0.45) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6877604 0.89 MCHR1 (0.47) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6877601 0.89 MCHR1 (0.47) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6867385 0.89 MCHR1 (0.41) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6874910 0.89 MAPK8 (0.41) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6867381 0.89 MCHR1 (0.41) MCHR1ADRA2AHRH1HTR2BADRA1A

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