SCHEMBL6866935

SCHEMBL6866935

CN(C)c1nc(N[C@H]2CC[C@@H](CNCc3cc(C(F)(F)F)ccc3F)CC2)nc2c1CCCC2

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 19/20 0.46
ADRA2A P08913 10/20 0.45
NPY5R Q15761 5/20 0.45
ADRA1A P35348 4/20 0.44
HTR2B P41595 4/20 0.44
HTR1A P08908 2/20 0.44
HRH1 P35367 3/20 0.42
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35

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
SCHEMBL6866942 1.00 MCHR1 (0.46) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6876036 0.87 MCHR1 (0.45) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6876031 0.87 MCHR1 (0.45) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6873512 0.86 MCHR1 (0.43) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6873508 0.86 MCHR1 (0.43) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6868479 0.84 MCHR1 (0.55) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6868484 0.84 MCHR1 (0.55) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6878970 0.84 MCHR1 (0.47) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6878966 0.84 MCHR1 (0.47) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL13796559 0.83 MCHR1 (0.65) MCHR1ADRA2ANPY5RADRA1AHTR2B

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