SCHEMBL6877508

SCHEMBL6877508

Cc1cc(N(C)C)nc(NC2CCC(NCc3cccc(OC(F)(F)F)c3)CC2)n1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.59
CARM1 Q86X55 2/20 0.50
PRMT6 Q96LA8 2/20 0.50
ADRA2A P08913 4/20 0.46
HRH1 P35367 3/20 0.46
ADRA1A P35348 2/20 0.46
CNR1 P21554 1/20 0.45
KCNH2 Q12809 1/20 0.45
AURKB Q96GD4 1/20 0.45
HTR2B P41595 2/20 0.43
GALR2 O43603 1/20 0.42
GALR1 P47211 1/20 0.42
RIPK2 O43353 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL6877502 1.00 MCHR1 (0.59) MCHR1CARM1PRMT6ADRA2AHRH1
SCHEMBL4263749 0.85 MCHR1 (0.53) MCHR1CARM1PRMT6ADRA2AGALR2
SCHEMBL4263752 0.85 MCHR1 (0.53) MCHR1CARM1PRMT6ADRA2AGALR2
SCHEMBL6877434 0.84 CARM1 (0.49) MCHR1CARM1PRMT6ADRA2AGALR2
SCHEMBL6877438 0.84 CARM1 (0.49) MCHR1CARM1PRMT6ADRA2AGALR2
SCHEMBL6875273 0.81 MCHR1 (0.50) MCHR1CARM1PRMT6ADRA2AHRH1
SCHEMBL6875280 0.81 MCHR1 (0.50) MCHR1CARM1PRMT6ADRA2AHRH1
SCHEMBL13795469 0.81 MCHR1 (0.67) MCHR1CARM1PRMT6ADRA2AHRH1
SCHEMBL6464322 0.80 MCHR1 (0.81) MCHR1ADRA2AHRH1ADRA1ACNR1
SCHEMBL6464331 0.80 MCHR1 (0.81) MCHR1ADRA2AHRH1ADRA1ACNR1

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