SCHEMBL6873255

SCHEMBL6873255

CN(C)c1nc(NC2CCC(CNCc3cccc(C#N)c3)CC2)nc2c1CCCC2

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.45
ADRA2A P08913 5/20 0.45
MAPK1 P28482 1/20 0.40
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
NPY5R Q15761 1/20 0.39
ADRA1A P35348 3/20 0.36
HTR2B P41595 3/20 0.36
HRH1 P35367 2/20 0.36
CDK1 P06493 2/20 0.35
SCN8A Q9UQD0 1/20 0.35
NOS1 P29475 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
VNN1 O95497 3/20 0.35
HTR1A P08908 1/20 0.34
MAPK14 Q16539 2/20 0.34
PDE2A O00408 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
SCHEMBL6873249 1.00 MCHR1 (0.45) MCHR1ADRA2AMAPK1CTSSCTSK
SCHEMBL6875338 0.88 CTSS (0.43) MCHR1ADRA2ACTSSCTSKNPY5R
SCHEMBL6875332 0.88 CTSS (0.43) MCHR1ADRA2ACTSSCTSKNPY5R
SCHEMBL6876580 0.87 MCHR1 (0.43) MCHR1ADRA2AMAPK1NPY5RADRA1A
SCHEMBL6871904 0.87 MCHR1 (0.47) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6871900 0.87 MCHR1 (0.47) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6876575 0.87 MCHR1 (0.43) MCHR1ADRA2AMAPK1NPY5RADRA1A
SCHEMBL6874578 0.84 MCHR1 (0.57) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL13793567 0.83 MCHR1 (0.65) MCHR1ADRA2ANPY5RADRA1AHTR2B
SCHEMBL6874661 0.83 MCHR1 (0.44) MCHR1ADRA2ACTSSCTSKNPY5R

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