SCHEMBL6877849

SCHEMBL6877849

CN(C)c1nc(NC2CCC(CNCc3ccccc3OC(F)(F)F)CC2)nc2c1CCCC2

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 18/20 0.60
ADRA2A P08913 16/20 0.60
NPY5R Q15761 11/20 0.60
EPHX2 P34913 1/20 0.42
PRKCQ Q04759 1/20 0.38
HTR1A P08908 1/20 0.37
ADRA1A P35348 1/20 0.37
HTR2B P41595 1/20 0.37

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
SCHEMBL6877842 1.00 MCHR1 (0.60) MCHR1ADRA2ANPY5REPHX2PRKCQ
Hydrochloric Acid SCHEMBL6455434 0.99 MCHR1 (0.60) MCHR1ADRA2ANPY5REPHX2PRKCQ
SCHEMBL6872671 0.90 MCHR1 (0.51) MCHR1ADRA2ANPY5REPHX2HTR1A
SCHEMBL6872667 0.90 MCHR1 (0.51) MCHR1ADRA2ANPY5REPHX2HTR1A
SCHEMBL6463640 0.89 MCHR1 (0.73) MCHR1ADRA2ANPY5REPHX2HTR1A
SCHEMBL6868415 0.88 MCHR1 (0.49) MCHR1ADRA2ANPY5REPHX2HTR1A
SCHEMBL6868420 0.88 MCHR1 (0.49) MCHR1ADRA2ANPY5REPHX2HTR1A
SCHEMBL6878940 0.88 MCHR1 (0.48) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6457942 0.88 MCHR1 (0.48) MCHR1ADRA2ANPY5RADRA1AHTR2B
Hydrochloric Acid SCHEMBL6456495 0.88 MCHR1 (0.72) MCHR1ADRA2ANPY5REPHX2HTR1A

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