SCHEMBL6875705

SCHEMBL6875705

CN(C)c1nc(NC2CCC(NC(=S)Nc3c(Cl)c(Cl)cc(Cl)c3Cl)CC2)nc2c1CCCC2

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 15/20 0.39
ADRA2A P08913 12/20 0.39
HRH1 P35367 7/20 0.38
HTR2B P41595 7/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 2/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
ADRA1A P35348 4/20 0.35
ALOX12 P18054 1/20 0.34
HTR1A P08908 1/20 0.33
NPY5R Q15761 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
SCHEMBL6875700 1.00 MCHR1 (0.39) MCHR1ADRA2AHRH1HTR2BNPC1
SCHEMBL6456505 0.90 MCHR1 (0.39) MCHR1ADRA2AHRH1HTR2BNPC1
SCHEMBL6456511 0.90 MCHR1 (0.39) MCHR1ADRA2AHRH1HTR2BNPC1
SCHEMBL6872914 0.89 MCHR1 (0.38) MCHR1ADRA2AHRH1HTR2BNPC1
SCHEMBL6872920 0.89 MCHR1 (0.38) MCHR1ADRA2AHRH1HTR2BNPC1
SCHEMBL6875825 0.89 MCHR1 (0.41) MCHR1ADRA2AHRH1HTR2BNPC1
SCHEMBL6875821 0.89 MCHR1 (0.41) MCHR1ADRA2AHRH1HTR2BNPC1
SCHEMBL6880185 0.89 ALDH1A1 (0.42) MCHR1ADRA2AHRH1HTR2BNPC1
SCHEMBL6880188 0.89 ALDH1A1 (0.42) MCHR1ADRA2AHRH1HTR2BNPC1
SCHEMBL6876609 0.89 MCHR1 (0.42) 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