SCHEMBL6876530

SCHEMBL6876530

Cc1cc(C)cc(NC(=O)NC2CCC(Nc3nc4c(c(N(C)C)n3)CCCC4)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.44
ADRA2A P08913 11/20 0.44
HRH1 P35367 5/20 0.44
HTR2B P41595 5/20 0.44
ADRA1A P35348 3/20 0.43
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
EPHX1 P07099 2/20 0.38
HTR1A P08908 1/20 0.38
NPY5R Q15761 1/20 0.38

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
SCHEMBL6876522 1.00 MCHR1 (0.44) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL7109740 0.91 NPC1 (0.54) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL7109737 0.91 NPC1 (0.54) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6463058 0.90 MCHR1 (0.44) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6463053 0.90 MCHR1 (0.44) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6458798 0.90 NPC1 (0.51) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6458790 0.90 NPC1 (0.51) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6875114 0.89 MCHR1 (0.44) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6867175 0.89 MCHR1 (0.44) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6875631 0.89 MCHR1 (0.42) 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