SCHEMBL5203036

SCHEMBL5203036

CC(C)n1c(CCCC(=O)NCCO)nc(OCc2ccc(F)cc2F)c(Cl)c1=O

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.51
MAPK11 Q15759 3/20 0.51
CNR2 P34972 3/20 0.38
CNR1 P21554 1/20 0.38
P2RX3 P56373 1/20 0.37

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
SCHEMBL5209287 0.90 MAPK14 (0.46) MAPK14MAPK11
SCHEMBL5206853 0.89 MAPK14 (0.46) MAPK14MAPK11
SCHEMBL5204957 0.88 MAPK14 (0.45) MAPK14MAPK11
SCHEMBL5207375 0.87 MAPK14 (0.44) MAPK14MAPK11
SCHEMBL5206435 0.87 MAPK14 (0.48) MAPK14MAPK11
SCHEMBL5373464 0.84 MAPK14 (0.45) MAPK14MAPK11
SCHEMBL5209385 0.83 MAPK14 (0.44) MAPK14MAPK11
SCHEMBL5206441 0.81 MAPK14 (0.48) MAPK14MAPK11
SCHEMBL5204585 0.80 MAPK14 (0.42) MAPK14MAPK11
SCHEMBL5204556 0.78 MAPK14 (0.47) MAPK14MAPK11

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1802590-A1 SUBSTITUTED N-ALKYLPYRIMIDINONES Pharmacia & Upjohn Company LLC (US) 2007-07-04 EP disclosed
WO-2006040666-A1 SUBSTITUTED N-ALKYLPYRIMIDINONES PHARMACIA & UPJOHN COMPANY LLC (US) 2006-04-20 WO disclosed