SCHEMBL6875286

SCHEMBL6875286

CN(C)c1cc(NC2CCC(NC(=O)c3ccc(F)c(F)c3F)CC2)nc2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.69
ADRA2A P08913 11/20 0.69
HTR1A P08908 1/20 0.52
ADRA1A P35348 1/20 0.52
HRH1 P35367 1/20 0.52
HTR2B P41595 1/20 0.52
NPY5R Q15761 1/20 0.52
RAB9A P51151 2/20 0.45
RXFP1 Q9HBX9 2/20 0.44
MAPT P10636 1/20 0.44
TP53 P04637 1/20 0.43

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
SCHEMBL6875284 1.00 MCHR1 (0.69) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6877343 0.93 MCHR1 (0.59) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6877346 0.93 MCHR1 (0.59) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6459810 0.92 MCHR1 (0.59) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6459818 0.92 MCHR1 (0.59) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6867174 0.92 MCHR1 (0.58) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6867173 0.92 MCHR1 (0.58) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6875767 0.89 MCHR1 (0.57) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6875760 0.89 MCHR1 (0.57) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6874154 0.87 MCHR1 (0.54) MCHR1ADRA2AHTR1AADRA1AHRH1

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