SCHEMBL6876393

SCHEMBL6876393

CCN(C(=O)N[C@H]1CC[C@@H](Nc2ncc(C)c(N(C)C)n2)CC1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.54
ADRA2A P08913 8/20 0.54
HTR2B P41595 6/20 0.54
HRH1 P35367 5/20 0.54
ADRA1A P35348 4/20 0.54
HTR1A P08908 1/20 0.48
SYK P43405 2/20 0.41
FASN P49327 1/20 0.38
HPGDS O60760 1/20 0.38
EPHX2 P34913 1/20 0.37

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
SCHEMBL6876399 1.00 MCHR1 (0.54) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6458864 0.86 MCHR1 (0.69) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6458855 0.86 MCHR1 (0.69) MCHR1ADRA2AHTR2BHRH1ADRA1A
Trifluoroacetic Acid SCHEMBL6455745 0.86 MCHR1 (0.62) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6464509 0.86 MCHR1 (0.60) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6464504 0.86 MCHR1 (0.60) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6465296 0.85 MCHR1 (0.54) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6465302 0.85 MCHR1 (0.54) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6456417 0.84 MCHR1 (0.75) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6456425 0.84 MCHR1 (0.75) 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