SCHEMBL5310026

SCHEMBL5310026

CC(C)C(C)CNC(=O)c1ccc(N2CCCN(C(=O)c3ccc(Cl)cc3F)C2=O)nc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 6/20 0.36
CYP2C9 P11712 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
EGLN1 Q9GZT9 2/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
CXCR3 P49682 1/20 0.35
P2RX7 Q99572 2/20 0.35
IDO1 P14902 1/20 0.35
SCD O00767 1/20 0.34
TRPA1 O75762 1/20 0.34
EPHX2 P34913 1/20 0.34
GABRA5 P31644 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
SCHEMBL5310028 0.85 EGLN1 (0.37) MAPK8CYP2C9MAPK11MAPK14EGLN1
SCHEMBL5312639 0.85 SCD (0.38) CYP2C9MAPK11MAPK14EGLN1P2RX7
SCHEMBL5312893 0.83 SCD (0.41) MAPK8SCD
SCHEMBL5313381 0.83 SCD (0.41) CYP2C9MAPK11MAPK14EGLN1P2RX7
SCHEMBL5312897 0.81 CYP2C9 (0.37) MAPK8CYP2C9MAPK11MAPK14EGLN1
SCHEMBL5309201 0.80 SCD (0.39) MAPK8CYP2C9MAPK11MAPK14EGLN1
SCHEMBL5312895 0.78 SCD (0.36) MAPK8CYP2C9MAPK11MAPK14EGLN1
SCHEMBL5306695 0.76 SCD (0.43) MAPK8EGLN1CXCR3SCD
SCHEMBL5306453 0.75 EGLN1 (0.38) CYP2C9EGLN1IDO1SCDGABRA5
SCHEMBL5309486 0.74 MAPK14 (0.41) MAPK14EGLN1SCD

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