SCHEMBL6878628

SCHEMBL6878628

CN(C)c1nc(N[C@H]2CC[C@@H](NC(=O)c3sc(Cl)c(Cl)c3Cl)CC2)nc2c1CCCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.44
ADRA2A P08913 13/20 0.44
HRH1 P35367 7/20 0.44
HTR2B P41595 7/20 0.44
HPGD P15428 2/20 0.40
TSHR P16473 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
ADRA1A P35348 4/20 0.40
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM1 P11229 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTR1A P08908 1/20 0.37
NPY5R Q15761 1/20 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
SCHEMBL6878632 1.00 MCHR1 (0.44) MCHR1ADRA2AHRH1HTR2BHPGD
SCHEMBL6459895 0.83 HPGD (0.46) MCHR1ADRA2AHRH1HTR2BHPGD
SCHEMBL6459903 0.83 HPGD (0.46) MCHR1ADRA2AHRH1HTR2BHPGD
SCHEMBL6463206 0.82 MCHR1 (0.48) MCHR1ADRA2AHRH1HTR2BHPGD
SCHEMBL6463211 0.82 MCHR1 (0.48) MCHR1ADRA2AHRH1HTR2BHPGD
SCHEMBL6867032 0.81 MCHR1 (0.42) MCHR1ADRA2AHRH1HTR2BHPGD
SCHEMBL6867035 0.81 MCHR1 (0.42) MCHR1ADRA2AHRH1HTR2BHPGD
SCHEMBL6873894 0.81 MCHR1 (0.37) MCHR1ADRA2AHRH1HTR2BHPGD
SCHEMBL6873889 0.81 MCHR1 (0.37) MCHR1ADRA2AHRH1HTR2BHPGD
SCHEMBL6455462 0.80 MCHR1 (0.68) MCHR1ADRA2AHRH1HTR2BALDH1A1

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