SCHEMBL6880913

SCHEMBL6880913

CN(C)c1nc(N[C@H]2CC[C@@H](CNC(=O)c3ccc(F)c(Cl)c3)CC2)nc2c1CCCC2

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 19/20 0.62
ADRA2A P08913 8/20 0.62
HTR2B P41595 5/20 0.62
HRH1 P35367 4/20 0.62
ADRA1A P35348 3/20 0.62
HTR1A P08908 2/20 0.49
NPY5R Q15761 2/20 0.46
MAPK14 Q16539 1/20 0.42

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
SCHEMBL6880919 1.00 MCHR1 (0.62) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6878114 0.92 MCHR1 (0.56) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6878108 0.92 MCHR1 (0.56) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6458206 0.92 MCHR1 (0.72) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6458197 0.92 MCHR1 (0.72) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6457956 0.92 MCHR1 (0.66) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6457947 0.92 MCHR1 (0.66) MCHR1ADRA2AHTR2BHRH1ADRA1A
Hydrochloric Acid SCHEMBL6455398 0.92 MCHR1 (0.71) MCHR1ADRA2AHTR2BHRH1ADRA1A
Hydrochloric Acid SCHEMBL6455402 0.92 MCHR1 (0.71) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL7110617 0.90 MCHR1 (0.66) 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