SCHEMBL6874493

SCHEMBL6874493

Cc1cnc(NC2CCC(NCc3cccc(Br)c3)CC2)nc1N(C)C

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.53
ADRA2A P08913 9/20 0.53
HTR2B P41595 6/20 0.53
HRH1 P35367 5/20 0.53
ADRA1A P35348 4/20 0.53
HTR1A P08908 1/20 0.44
CARM1 Q86X55 2/20 0.43
PRMT6 Q96LA8 2/20 0.43
PRMT8 Q9NR22 1/20 0.43
NPY5R Q15761 1/20 0.37
KDM1A O60341 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
HTR5A P47898 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL6874488 1.00 MCHR1 (0.53) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6873929 0.88 MCHR1 (0.55) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6873926 0.88 MCHR1 (0.55) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6456562 0.84 MCHR1 (0.47) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6877675 0.83 MCHR1 (0.62) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6875273 0.83 MCHR1 (0.50) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6875280 0.83 MCHR1 (0.50) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6879241 0.83 MCHR1 (0.63) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6879245 0.83 MCHR1 (0.63) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6875146 0.82 MCHR1 (0.53) 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