SCHEMBL6871900

SCHEMBL6871900

CN(C)c1nc(N[C@H]2CC[C@@H](CNCc3cccc(Br)c3)CC2)nc2c1CCCC2

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.47
ADRA2A P08913 11/20 0.47
NPY5R Q15761 4/20 0.47
ADRA1A P35348 3/20 0.38
HTR2B P41595 3/20 0.38
HRH1 P35367 2/20 0.38
HTR1A P08908 1/20 0.36
SPR P35270 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL6871904 1.00 MCHR1 (0.47) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6875332 0.90 CTSS (0.43) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6875338 0.90 CTSS (0.43) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6876575 0.89 MCHR1 (0.43) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6876580 0.89 MCHR1 (0.43) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6873255 0.87 MCHR1 (0.45) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6873249 0.87 MCHR1 (0.45) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6460400 0.85 MCHR1 (0.40) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6464411 0.85 MCHR1 (0.40) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6874290 0.85 MCHR1 (0.49) 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