SCHEMBL6868751

SCHEMBL6868751

CN(C)c1nc(N[C@H]2CC[C@@H](CNC(=O)c3cncc(Br)c3)CC2)nc2c1CCCC2

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.53
ADRA2A P08913 6/20 0.51
HTR2B P41595 4/20 0.51
ADRA1A P35348 3/20 0.51
HRH1 P35367 3/20 0.51
HTR1A P08908 1/20 0.51
CACNA1I Q9P0X4 1/20 0.46
NPY5R Q15761 1/20 0.44
SMYD3 Q9H7B4 1/20 0.39
TAS1R3 Q7RTX0 2/20 0.39
TAS1R1 Q7RTX1 2/20 0.39
TAS1R2 Q8TE23 2/20 0.39
PHF13 Q86YI8 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL6458362 0.88 MCHR1 (0.52) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6458370 0.88 MCHR1 (0.52) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6464596 0.88 MCHR1 (0.56) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6464603 0.88 MCHR1 (0.56) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6875374 0.88 MCHR1 (0.54) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6875373 0.88 MCHR1 (0.54) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6875077 0.84 MCHR1 (0.71) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6877794 0.84 MCHR1 (0.65) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6875080 0.84 MCHR1 (0.71) MCHR1ADRA2AHTR2BADRA1AHRH1
SCHEMBL6877798 0.84 MCHR1 (0.65) MCHR1ADRA2AHTR2BADRA1AHRH1

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