SCHEMBL6878385

SCHEMBL6878385

CN(C)c1ccnc(N[C@H]2CC[C@@H](NC(=O)c3cccc(C(F)(F)F)c3F)CC2)n1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
TAS1R2 Q8TE23 1/20 0.48
MCHR1 Q99705 19/20 0.47
ADRA2A P08913 9/20 0.46
HRH1 P35367 6/20 0.46
ADRA1A P35348 4/20 0.46
HTR2B P41595 5/20 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
SCHEMBL6878394 1.00 TAS1R3 (0.48) TAS1R3TAS1R1TAS1R2MCHR1ADRA2A
SCHEMBL6878633 0.88 MCHR1 (0.50) TAS1R3TAS1R1TAS1R2MCHR1ADRA2A
SCHEMBL6878626 0.88 MCHR1 (0.50) TAS1R3TAS1R1TAS1R2MCHR1ADRA2A
SCHEMBL6878801 0.87 MCHR1 (0.49) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6878793 0.87 MCHR1 (0.49) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6877179 0.83 MCHR1 (0.61) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6877185 0.83 MCHR1 (0.61) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6874736 0.82 MCHR1 (0.51) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6877485 0.81 MCHR1 (0.52) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6877476 0.81 MCHR1 (0.52) MCHR1ADRA2AHRH1ADRA1AHTR2B

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