SCHEMBL6880396

SCHEMBL6880396

CN(C)c1ccnc(N[C@H]2CC[C@@H](NC(=O)c3cccc(F)c3)CC2)n1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 18/20 0.63
ADRA2A P08913 10/20 0.63
HRH1 P35367 6/20 0.56
HTR2B P41595 5/20 0.56
ADRA1A P35348 5/20 0.56
AR P10275 1/20 0.50
GRM5 P41594 1/20 0.49
HTR1A P08908 1/20 0.48
NPY5R Q15761 1/20 0.48

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
SCHEMBL6880399 1.00 MCHR1 (0.63) MCHR1ADRA2AHRH1HTR2BADRA1A
Hydrochloric Acid SCHEMBL7066307 0.99 MCHR1 (0.62) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6464867 0.91 MCHR1 (0.61) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6464872 0.91 MCHR1 (0.61) MCHR1ADRA2AHRH1HTR2BADRA1A
Hydrochloric Acid SCHEMBL6461653 0.90 MCHR1 (0.60) MCHR1ADRA2AHRH1HTR2BADRA1A
Hydrochloric Acid SCHEMBL6461655 0.90 MCHR1 (0.60) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6464615 0.89 MCHR1 (0.76) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6464605 0.89 MCHR1 (0.76) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6462094 0.89 MCHR1 (0.61) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6462387 0.89 MCHR1 (0.61) 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