SCHEMBL6867682

SCHEMBL6867682

CN(C)c1ccnc(N[C@H]2CC[C@@H](CNC(=O)c3cccc(OC(F)(F)F)c3)CC2)n1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 15/20 0.57
ADRA2A P08913 3/20 0.49
ADRA1A P35348 2/20 0.49
HTR2B P41595 2/20 0.49
HRH1 P35367 1/20 0.49
HTR1A P08908 1/20 0.49
NPY5R Q15761 1/20 0.47
HDAC6 Q9UBN7 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42
ACACB O00763 1/20 0.42
ACACA Q13085 1/20 0.42
NAMPT P43490 1/20 0.41

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
SCHEMBL6867687 1.00 MCHR1 (0.57) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL7110027 0.90 MCHR1 (0.60) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL7110030 0.90 MCHR1 (0.60) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6459115 0.89 MCHR1 (0.62) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6459129 0.89 MCHR1 (0.62) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6875870 0.88 MCHR1 (0.69) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6875866 0.88 MCHR1 (0.69) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6463540 0.85 MCHR1 (0.78) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6463546 0.85 MCHR1 (0.78) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6879751 0.85 MCHR1 (0.59) MCHR1ADRA2AADRA1AHTR2BHRH1

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