SCHEMBL5312642

SCHEMBL5312642

CC(C)C(C)CNC(=O)c1ccc(N2C=CCN(C(=O)c3cccc(F)c3N)C2=O)nc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.36
EGLN1 Q9GZT9 3/20 0.34
CYP2C9 P11712 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
P2RX7 Q99572 5/20 0.32
HDAC3 O15379 1/20 0.32
HDAC2 Q92769 1/20 0.32
SCN9A Q15858 1/20 0.31
HDAC1 Q13547 3/20 0.31
PRMT5 O14744 2/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31

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
SCHEMBL5313384 0.90 SCD (0.40) SCDEGLN1CYP2C9MAPK11MAPK14
SCHEMBL5312639 0.85 SCD (0.38) SCDEGLN1CYP2C9MAPK11MAPK14
SCHEMBL5310028 0.85 EGLN1 (0.37) SCDEGLN1CYP2C9MAPK11MAPK14
SCHEMBL5315122 0.84 SCD (0.39) SCDEGLN1CYP2C9MAPK11MAPK14
SCHEMBL5309303 0.80 SCD (0.44) SCDEGLN1CYP2C9MAPK11MAPK14
SCHEMBL5315119 0.79 SCD (0.44) SCDP2RX7HDAC3HDAC2HDAC1
SCHEMBL5311551 0.76 PRKAA2 (0.43) EGLN1
SCHEMBL5313381 0.75 SCD (0.41) SCDEGLN1CYP2C9MAPK11MAPK14
SCHEMBL5309835 0.75 SCD (0.51) SCDEGLN1
SCHEMBL5312612 0.74 SCD (0.40) SCDEGLN1MAPK11MAPK14

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
WO-2007046867-A2 PIPERIDINE DERIVATIVES AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2007-04-26 WO disclosed