SCHEMBL6873221

SCHEMBL6873221

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

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.53
ADRA2A P08913 4/20 0.49
ADRA1A P35348 2/20 0.49
HTR2B P41595 2/20 0.49
HRH1 P35367 1/20 0.49
HTR1A P08908 1/20 0.43
NPY5R Q15761 1/20 0.41
CNR2 P34972 1/20 0.41
AR P10275 1/20 0.40
CHRM1 P11229 1/20 0.40

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
SCHEMBL6876594 0.92 MCHR1 (0.50) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6876588 0.92 MCHR1 (0.50) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6873783 0.90 MCHR1 (0.55) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6873779 0.90 MCHR1 (0.55) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6878626 0.89 MCHR1 (0.50) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6878633 0.89 MCHR1 (0.50) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6869537 0.87 MCHR1 (0.54) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6869533 0.87 MCHR1 (0.54) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6874506 0.87 MCHR1 (0.53) MCHR1ADRA2AADRA1AHTR2BHRH1
SCHEMBL6876236 0.87 MCHR1 (0.57) 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