SCHEMBL5309486

SCHEMBL5309486

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.41
SCD O00767 6/20 0.38
CNR1 P21554 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
EGLN1 Q9GZT9 6/20 0.35
MLYCD O95822 1/20 0.35
SMYD3 Q9H7B4 1/20 0.35
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 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
SCHEMBL5309398 0.87 SCD (0.49) SCDTP53GAATSHR
SCHEMBL5309487 0.87 MAPK14 (0.41) MAPK14SCDCNR1EGLN1MLYCD
SCHEMBL5309201 0.85 SCD (0.39) MAPK14SCDEGLN1
SCHEMBL5306695 0.84 SCD (0.43) SCDCNR1EGLN1
SCHEMBL5315083 0.83 SCD (0.54) SCDMLYCD
SCHEMBL5315101 0.82 SCD (0.54) SCDMLYCD
SCHEMBL5309157 0.80 SCD (0.55) SCD
SCHEMBL5309660 0.77 SCD (0.56) SCDTSHR
SCHEMBL5314476 0.76 EGLN1 (0.39) SCDEGLN1
SCHEMBL5309798 0.75 ALDH1A1 (0.41) SCDTP53GAATSHR

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