SCHEMBL6875280

SCHEMBL6875280

Cc1cnc(NC2CCC(NCc3cccc(OC(F)(F)F)c3)CC2)nc1N(C)C

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 13/20 0.50
ADRA2A P08913 7/20 0.49
HTR2B P41595 6/20 0.49
HRH1 P35367 5/20 0.49
ADRA1A P35348 4/20 0.49
CARM1 Q86X55 2/20 0.48
PRMT6 Q96LA8 2/20 0.48
HTR1A P08908 1/20 0.47
CCNT1 O60563 1/20 0.43
RIPK2 O43353 1/20 0.42
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
ALDH1A1 P00352 1/20 0.40
EPHX2 P34913 1/20 0.40

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
SCHEMBL6875273 1.00 MCHR1 (0.50) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6877438 0.86 CARM1 (0.49) MCHR1ADRA2ACARM1PRMT6CCNT1
SCHEMBL6877434 0.86 CARM1 (0.49) MCHR1ADRA2ACARM1PRMT6CCNT1
SCHEMBL13795469 0.83 MCHR1 (0.67) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6874488 0.83 MCHR1 (0.53) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6874493 0.83 MCHR1 (0.53) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6873929 0.83 MCHR1 (0.55) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6873926 0.83 MCHR1 (0.55) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6877508 0.81 MCHR1 (0.59) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6877502 0.81 MCHR1 (0.59) 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