SCHEMBL6879294

SCHEMBL6879294

CN(C)c1ccnc(NC2CCC(CN(CC(Cl)(Cl)Cl)C(=O)O)CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.40
MCHR1 Q99705 10/20 0.39
DRD2 P14416 2/20 0.38
ADRA2A P08913 2/20 0.37
HRH1 P35367 2/20 0.37
HTR2B P41595 2/20 0.37
ADRA1A P35348 1/20 0.37
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
MAPK10 P53779 1/20 0.37
NPY5R Q15761 2/20 0.36
LCK P06239 1/20 0.36
JAK3 P52333 1/20 0.36
MELK Q14680 1/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL6879291 1.00 MAPK14 (0.40) MAPK14MCHR1DRD2ADRA2AHRH1
SCHEMBL6873416 0.91 MAPK14 (0.40) MAPK14MCHR1DRD2ADRA2AHRH1
SCHEMBL6873422 0.91 MAPK14 (0.40) MAPK14MCHR1DRD2ADRA2AHRH1
SCHEMBL6877753 0.84 LCK (0.39) MAPK14MCHR1DRD2ADRA2AHRH1
SCHEMBL6877758 0.84 LCK (0.39) MAPK14MCHR1DRD2ADRA2AHRH1
SCHEMBL6867366 0.83 MAPK14 (0.39) MAPK14MCHR1DRD2ADRA2AHRH1
SCHEMBL6867360 0.83 MAPK14 (0.39) MAPK14MCHR1DRD2ADRA2AHRH1
SCHEMBL6872401 0.82 ACHE (0.42) MAPK14MCHR1DRD2ADRA2AHRH1
SCHEMBL6872392 0.82 ACHE (0.42) MAPK14MCHR1DRD2ADRA2AHRH1
SCHEMBL6867607 0.81 MAPK8 (0.39) MAPK14MCHR1DRD2MAPK8MAPK9

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