SCHEMBL6877218

SCHEMBL6877218

CN(C)c1ccnc(NC2CCC(NC(=O)c3cc(F)c(Cl)cc3Cl)CC2)n1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.53
HPGD P15428 2/20 0.51
ADRA2A P08913 6/20 0.50
HRH1 P35367 5/20 0.50
HTR2B P41595 4/20 0.50
ADRA1A P35348 3/20 0.49
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPK14 Q16539 1/20 0.44

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
SCHEMBL6877214 1.00 MCHR1 (0.53) MCHR1HPGDADRA2AHRH1HTR2B
SCHEMBL6876416 0.88 HPGD (0.61) MCHR1HPGDADRA2AHRH1HTR2B
SCHEMBL6876408 0.88 HPGD (0.61) MCHR1HPGDADRA2AHRH1HTR2B
SCHEMBL6463743 0.88 MCHR1 (0.54) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6463737 0.88 MCHR1 (0.54) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6460390 0.86 MCHR1 (0.67) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6457537 0.86 MCHR1 (0.67) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6460398 0.86 MCHR1 (0.67) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6457552 0.86 MCHR1 (0.67) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6879002 0.86 MCHR1 (0.58) MCHR1ADRA2AHRH1HTR2BADRA1A

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