SCHEMBL5309201

SCHEMBL5309201

CC(C)CC(C)CNC(=O)c1ccc(N2CCCN(C(=O)c3cc(Cl)cc(F)c3C(F)(F)F)C2=O)nc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.39
CYP2C9 P11712 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
EGLN1 Q9GZT9 5/20 0.34
P2RX7 Q99572 1/20 0.33
IDO1 P14902 1/20 0.32
KMT2A Q03164 2/20 0.32
MAPK8 P45983 4/20 0.32
GCG P01275 2/20 0.32
MEN1 O00255 1/20 0.32
CXCR3 P49682 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
SCHEMBL5312897 0.90 CYP2C9 (0.37) SCDCYP2C9MAPK11MAPK14EGLN1
SCHEMBL5309204 0.87 SCD (0.37) SCDCYP2C9MAPK11MAPK14EGLN1
SCHEMBL5306364 0.86 SCD (0.45) SCDCYP2C9MAPK11MAPK14P2RX7
SCHEMBL5309486 0.85 MAPK14 (0.41) SCDMAPK14EGLN1
SCHEMBL5306365 0.81 SCD (0.40) SCDCYP2C9MAPK11MAPK14EGLN1
SCHEMBL5313381 0.80 SCD (0.41) SCDCYP2C9MAPK11MAPK14EGLN1
SCHEMBL5310026 0.80 MAPK8 (0.36) SCDCYP2C9MAPK11MAPK14EGLN1
SCHEMBL5309299 0.76 SCD (0.46) SCDCYP2C9MAPK11MAPK14EGLN1
SCHEMBL5310725 0.76 SCD (0.41) SCDCYP2C9MAPK11MAPK14KMT2A
SCHEMBL5309398 0.73 SCD (0.49) SCD

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