SCHEMBL6875503

SCHEMBL6875503

CN(C)c1nc(NC2CCC(NC(=O)c3c(F)c(F)c(F)c(F)c3F)CC2)nc2c1CCCC2

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 18/20 0.48
ADRA2A P08913 12/20 0.48
HRH1 P35367 5/20 0.48
HTR2B P41595 5/20 0.48
ADRA1A P35348 3/20 0.48
HTR1A P08908 1/20 0.46
NPY5R Q15761 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 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
SCHEMBL6876111 0.86 MCHR1 (0.55) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6876114 0.86 MCHR1 (0.55) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6456838 0.84 MCHR1 (0.68) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6461782 0.84 MCHR1 (0.55) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6461778 0.84 MCHR1 (0.55) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6456831 0.84 MCHR1 (0.68) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6877604 0.84 MCHR1 (0.47) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6877601 0.84 MCHR1 (0.47) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6877818 0.84 MCHR1 (0.58) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6877656 0.84 MCHR1 (0.68) 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