SCHEMBL6876408

SCHEMBL6876408

CN(C)c1ccnc(N[C@H]2CC[C@@H](NC(=O)c3ccc(F)cc3Cl)CC2)n1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.61
MCHR1 Q99705 17/20 0.54
ADRA2A P08913 8/20 0.50
HRH1 P35367 5/20 0.50
HTR2B P41595 4/20 0.50
ADRA1A P35348 3/20 0.49
MAPK14 Q16539 1/20 0.46

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
SCHEMBL6876416 1.00 HPGD (0.61) HPGDMCHR1ADRA2AHRH1HTR2B
SCHEMBL6866959 0.90 MCHR1 (0.56) HPGDMCHR1ADRA2AHRH1HTR2B
SCHEMBL6866957 0.90 MCHR1 (0.56) HPGDMCHR1ADRA2AHRH1HTR2B
SCHEMBL6877214 0.88 MCHR1 (0.53) HPGDMCHR1ADRA2AHRH1HTR2B
SCHEMBL6877218 0.88 MCHR1 (0.53) HPGDMCHR1ADRA2AHRH1HTR2B
SCHEMBL6878080 0.88 NPC1 (0.55) HPGDMCHR1ADRA2AHRH1HTR2B
SCHEMBL6873330 0.85 MCHR1 (0.48) HPGDMCHR1ADRA2AHRH1HTR2B
SCHEMBL6873326 0.85 MCHR1 (0.48) HPGDMCHR1ADRA2AHRH1HTR2B
SCHEMBL6868341 0.85 MCHR1 (0.47) HPGDMCHR1ADRA2AHRH1HTR2B
SCHEMBL6868350 0.85 MCHR1 (0.47) HPGDMCHR1ADRA2AHRH1HTR2B

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