SCHEMBL5309487

SCHEMBL5309487

CCCCCNC(=O)c1ccc(N2C=CCN(C(=O)c3cc(Cl)cc(F)c3C(F)(F)F)C2=O)nc1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.41
SCD O00767 6/20 0.37
CNR1 P21554 1/20 0.36
EGLN1 Q9GZT9 9/20 0.35
MLYCD O95822 1/20 0.35
SMYD3 Q9H7B4 1/20 0.35

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
SCHEMBL5309486 0.87 MAPK14 (0.41) MAPK14SCDCNR1EGLN1MLYCD
SCHEMBL5309204 0.85 SCD (0.37) MAPK14SCDEGLN1
SCHEMBL5306699 0.85 SCD (0.41) MAPK14SCDCNR1EGLN1
SCHEMBL5315085 0.84 SCD (0.51) MAPK14SCDMLYCDSMYD3
SCHEMBL5315103 0.83 SCD (0.51) MAPK14SCDMLYCDSMYD3
SCHEMBL5309158 0.81 SCD (0.52) SCDSMYD3
SCHEMBL5309661 0.78 SCD (0.53) SCDEGLN1
SCHEMBL5314479 0.77 EGLN1 (0.39) MAPK14EGLN1
SCHEMBL5309801 0.76 LMNA (0.41) MAPK14SCDEGLN1SMYD3
SCHEMBL5309398 0.75 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