SCHEMBL6878288

SCHEMBL6878288

COc1nc(NC2CCC(NC(=O)c3ccc(Cl)cc3)CC2)ncc1C

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.71
ADRA2A P08913 6/20 0.71
HRH1 P35367 6/20 0.71
HTR2B P41595 6/20 0.71
ADRA1A P35348 3/20 0.57
BRD4 O60885 2/20 0.47
LRRK2 Q5S007 1/20 0.46
SYK P43405 2/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CCNK O75909 1/20 0.43
CDK12 Q9NYV4 1/20 0.43
MAPK14 Q16539 1/20 0.43

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
SCHEMBL6878285 1.00 MCHR1 (0.71) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6873248 0.89 MCHR1 (0.57) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6873245 0.89 MCHR1 (0.57) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6461744 0.89 MCHR1 (0.58) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6461733 0.89 MCHR1 (0.58) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6875647 0.85 MCHR1 (0.60) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6875642 0.85 MCHR1 (0.60) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6458186 0.83 MCHR1 (1.00) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL6458177 0.83 MCHR1 (1.00) MCHR1ADRA2AHRH1HTR2BADRA1A
Trifluoroacetic Acid SCHEMBL6456457 0.82 MCHR1 (0.66) MCHR1ADRA2AHRH1HTR2BADRA1A

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