SCHEMBL6867175

SCHEMBL6867175

CN(C)c1nc(NC2CCC(NC(=O)Nc3cc(F)cc(F)c3)CC2)nc2c1CCCC2

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.44
ADRA2A P08913 9/20 0.44
HRH1 P35367 5/20 0.44
HTR2B P41595 5/20 0.44
ADRA1A P35348 3/20 0.44
HTR1A P08908 1/20 0.41
NPY5R Q15761 1/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL6867172 1.00 MCHR1 (0.44) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6873734 0.92 CXCR3 (0.47) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6873730 0.92 CXCR3 (0.47) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6868229 0.91 KMT2A (0.53) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6868233 0.91 KMT2A (0.53) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6465026 0.90 MCHR1 (0.51) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6465036 0.90 MCHR1 (0.51) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6876522 0.89 MCHR1 (0.44) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6876530 0.89 MCHR1 (0.44) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6879619 0.88 MCHR1 (0.40) 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