SCHEMBL6867367

SCHEMBL6867367

CN(C)c1nc(NC2CCC(NC(=O)CCc3ccc(Cl)c(Cl)c3)CC2)nc2c1CCCC2

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 17/20 0.48
ADRA2A P08913 13/20 0.48
HRH1 P35367 7/20 0.44
HTR2B P41595 7/20 0.44
PYGL P06737 1/20 0.42
ADRA1A P35348 4/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR1A P08908 1/20 0.37
NPY5R Q15761 1/20 0.37
SIGMAR1 Q99720 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
SCHEMBL6867363 1.00 MCHR1 (0.48) MCHR1ADRA2AHRH1HTR2BPYGL
SCHEMBL6462013 0.92 MCHR1 (0.50) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6460437 0.92 MCHR1 (0.50) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL7043626 0.87 MCHR1 (0.44) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL7043623 0.87 MCHR1 (0.44) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6873172 0.86 MCHR1 (0.50) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6873166 0.86 MCHR1 (0.50) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6459948 0.83 MCHR1 (0.68) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6459943 0.83 MCHR1 (0.68) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL13793649 0.83 MCHR1 (0.70) 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