SCHEMBL6867607

SCHEMBL6867607

CN(C)c1ccnc(N[C@H]2CC[C@@H](CN(CC3c4ccccc4-c4ccccc43)C(=O)O)CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.39
MAPK9 P45984 1/20 0.39
MAPK10 P53779 1/20 0.39
MAPK14 Q16539 4/20 0.38
DRD2 P14416 2/20 0.38
NPY5R Q15761 2/20 0.36
MCHR1 Q99705 5/20 0.35
JAK3 P52333 3/20 0.35
DRD3 P35462 1/20 0.35
RET P07949 1/20 0.35
CDC7 O00311 1/20 0.34
DAPK3 O43293 1/20 0.34
ROCK2 O75116 1/20 0.34
MAP4K4 O95819 1/20 0.34
PAK4 O96013 1/20 0.34
PIM1 P11309 1/20 0.34
PRKACA P17612 1/20 0.34
CDK2 P24941 1/20 0.34
FLT3 P36888 1/20 0.34
CSNK1A1 P48729 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
SCHEMBL6867614 1.00 MAPK8 (0.39) MAPK8MAPK9MAPK10MAPK14DRD2
SCHEMBL6877019 0.86 MAPK8 (0.39) MAPK8MAPK9MAPK10MAPK14DRD2
SCHEMBL6877016 0.86 MAPK8 (0.39) MAPK8MAPK9MAPK10MAPK14DRD2
SCHEMBL6873422 0.82 MAPK14 (0.40) MAPK8MAPK9MAPK10MAPK14DRD2
SCHEMBL6873416 0.82 MAPK14 (0.40) MAPK8MAPK9MAPK10MAPK14DRD2
SCHEMBL6879294 0.81 MAPK14 (0.40) MAPK8MAPK9MAPK10MAPK14DRD2
SCHEMBL6879291 0.81 MAPK14 (0.40) MAPK8MAPK9MAPK10MAPK14DRD2
SCHEMBL6872401 0.81 ACHE (0.42) MAPK8MAPK9MAPK10MAPK14DRD2
SCHEMBL6872392 0.81 ACHE (0.42) MAPK8MAPK9MAPK10MAPK14DRD2
SCHEMBL6867360 0.80 MAPK14 (0.39) MAPK14DRD2MCHR1

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