SCHEMBL6877756

SCHEMBL6877756

CCOc1ccc2ccccc2c1C(=O)N[C@H]1CC[C@@H](Nc2nc3c(c(N(C)C)n2)CCCC3)CC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 17/20 0.45
ADRA2A P08913 16/20 0.45
HRH1 P35367 4/20 0.43
HTR2B P41595 4/20 0.43
ADRA1A P35348 3/20 0.43
HTR1A P08908 1/20 0.43
NPY5R Q15761 1/20 0.43
POLB P06746 1/20 0.42
CXCR5 P32302 1/20 0.41

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
SCHEMBL6877757 1.00 MCHR1 (0.45) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL13793521 0.86 MCHR1 (0.61) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6880853 0.85 MCHR1 (0.50) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6880846 0.85 MCHR1 (0.50) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6876818 0.85 MCHR1 (0.52) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6876821 0.85 MCHR1 (0.52) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6874035 0.82 MCHR1 (0.58) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6874030 0.82 MCHR1 (0.58) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6467487 0.81 TP53 (0.47) MCHR1ADRA2A
SCHEMBL6467491 0.81 TP53 (0.47) MCHR1ADRA2A

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