SCHEMBL6879442

SCHEMBL6879442

Cc1ccc(C(=O)NC2CCC(CNc3ncc(C)c(N(C)C)n3)CC2)cc1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 13/20 0.76
ADRA2A P08913 7/20 0.76
HTR2B P41595 6/20 0.76
HRH1 P35367 5/20 0.76
ADRA1A P35348 4/20 0.64
HTR1A P08908 1/20 0.52
MAPK14 Q16539 4/20 0.45
CYP2C9 P11712 2/20 0.45
HPGD P15428 2/20 0.44
NPC1 O15118 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSPB1 P04792 1/20 0.44
MAPK11 Q15759 1/20 0.44
TTK P33981 1/20 0.43

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
SCHEMBL6879437 1.00 MCHR1 (0.76) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6466960 0.92 MCHR1 (0.64) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6466965 0.92 MCHR1 (0.64) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6866358 0.92 MCHR1 (0.64) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL27632507 0.92 MCHR1 (0.64) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6867801 0.91 MCHR1 (0.62) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6868012 0.91 MCHR1 (0.63) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6868018 0.91 MCHR1 (0.63) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6867805 0.91 MCHR1 (0.62) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6874190 0.90 MCHR1 (0.61) MCHR1ADRA2AHTR2BHRH1ADRA1A

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