SCHEMBL5313384

SCHEMBL5313384

CC(C)C(C)CNC(=O)c1ccc(N2C=CCN(C(=O)c3cccc(F)c3C(F)(F)F)C2=O)nc1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCD O00767 3/20 0.40
P2RX7 Q99572 12/20 0.33
EGLN1 Q9GZT9 3/20 0.33
CRACR2A Q9BSW2 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 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
SCHEMBL5312642 0.90 SCD (0.36) SCDP2RX7EGLN1CYP2C9MAPK11
SCHEMBL5313381 0.86 SCD (0.41) SCDP2RX7EGLN1CRACR2ACYP2C9
SCHEMBL5312064 0.83 SCD (0.43) SCDP2RX7CRACR2A
SCHEMBL5310028 0.83 EGLN1 (0.37) SCDP2RX7EGLN1CYP2C9MAPK11
SCHEMBL5309303 0.83 SCD (0.44) SCDP2RX7EGLN1CRACR2ACYP2C9
SCHEMBL5309204 0.80 SCD (0.37) SCDP2RX7EGLN1CYP2C9MAPK11
SCHEMBL5310358 0.80 SMN1; SMN2 (0.44) CRACR2A
SCHEMBL5312062 0.79 SCD (0.49) SCD
SCHEMBL5309835 0.78 SCD (0.51) SCDEGLN1
SCHEMBL5309661 0.77 SCD (0.53) SCDEGLN1

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