SCHEMBL5310028

SCHEMBL5310028

CC(C)C(C)CNC(=O)c1ccc(N2C=CCN(C(=O)c3ccc(Cl)cc3F)C2=O)nc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 5/20 0.37
CYP2C9 P11712 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
TRPA1 O75762 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
CXCR3 P49682 1/20 0.34
P2RX7 Q99572 2/20 0.34
GABRA5 P31644 1/20 0.34
MAPK8 P45983 3/20 0.33
EPHX2 P34913 1/20 0.33
SCD O00767 1/20 0.33

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
SCHEMBL5310026 0.85 MAPK8 (0.36) EGLN1CYP2C9MAPK11MAPK14TRPA1
SCHEMBL5312642 0.85 SCD (0.36) EGLN1CYP2C9MAPK11MAPK14P2RX7
SCHEMBL5312895 0.83 SCD (0.36) EGLN1CYP2C9MAPK11MAPK14TRPA1
SCHEMBL5313384 0.83 SCD (0.40) EGLN1CYP2C9MAPK11MAPK14P2RX7
SCHEMBL5309204 0.80 SCD (0.37) EGLN1CYP2C9MAPK11MAPK14CXCR3
SCHEMBL5312893 0.78 SCD (0.41) MAPK8SCD
SCHEMBL5306699 0.77 SCD (0.41) EGLN1MAPK14CXCR3SCD
SCHEMBL5306454 0.75 EGLN1 (0.39) EGLN1GABRA5
SCHEMBL5309487 0.74 MAPK14 (0.41) EGLN1MAPK14SCD
SCHEMBL5309303 0.74 SCD (0.44) EGLN1CYP2C9MAPK11MAPK14P2RX7

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