SCHEMBL3948201

SCHEMBL3948201

CN(CC(O)c1cccc(O)c1)C(=O)Oc1cnc(N(C)Cc2ccccn2)nc1-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.37
CACNA2D1 P54289 2/20 0.37
ALOX5 P09917 1/20 0.35
SYK P43405 2/20 0.34
AURKB Q96GD4 2/20 0.34
INCENP Q9NQS7 2/20 0.34
MKNK1 Q9BUB5 2/20 0.33
CASR P41180 3/20 0.33
PDK1 Q15118 1/20 0.33
PTGFR P43088 1/20 0.32
GBA1 P04062 1/20 0.32
SLC16A3 O15427 1/20 0.32
CA2 P00918 1/20 0.32
CTNNB1 P35222 1/20 0.32
TCF7L2 Q9NQB0 1/20 0.32
PDE5A O76074 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL3947316 0.90 CASR (0.41) ALOX5MKNK1CASRPDK1SLC16A3
SCHEMBL3946482 0.87 ALOX5 (0.39) ALOX5MKNK1PDK1SLC16A3MEN1
SCHEMBL3946983 0.82 CASR (0.43) CASRPDK1MEN1KMT2A
SCHEMBL3942446 0.82 CASR (0.41) ALOX5CASRPDK1LMNA
SCHEMBL3953649 0.82 CASR (0.35) ALOX5CASRPDK1SLC16A3MEN1
SCHEMBL3943392 0.82 ITGB1 (0.38) ALOX5MKNK1CASRPDK1
SCHEMBL3951654 0.81 CASR (0.41) CASRMEN1KMT2A
SCHEMBL3945206 0.81 CASR (0.37) SLC6A2CACNA2D1ALOX5MKNK1CASR
SCHEMBL3945373 0.81 CASR (0.37) SLC6A2CACNA2D1ALOX5MKNK1CASR
SCHEMBL3951648 0.81 TSPO (0.37) ALOX5MKNK1CASRPDK1

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-1718632-B1 PYRIMIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SANOFI AVENTIS (FR) 2009-04-22 EP claimed