SCHEMBL5309062

SCHEMBL5309062

O=C(NCCCC1CC1)c1ccc(N2C=CCN(C(=O)c3ccccc3C(F)(F)F)C2=O)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 11/20 0.51
DDR1 Q08345 2/20 0.39
MAPK11 Q15759 2/20 0.39
MAPK14 Q16539 2/20 0.39
DDR2 Q16832 2/20 0.39
MAP3K20 Q9NYL2 2/20 0.39
MAP3K2 Q9Y2U5 2/20 0.39
TMEM97 Q5BJF2 1/20 0.39
EGLN1 Q9GZT9 1/20 0.37
TNF P01375 1/20 0.36
KIT P10721 1/20 0.36
MYLK4 Q86YV6 1/20 0.36
RPS6KA6 Q9UK32 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL5307184 0.98 SCD (0.51) SCDDDR1MAPK11MAPK14DDR2
SCHEMBL5309118 0.95 SCD (0.51) SCDEGLN1NPC1ALDH1A1LMNA
SCHEMBL5315077 0.91 SCD (0.47) SCDMAPK11MAPK14EGLN1
SCHEMBL5312612 0.91 SCD (0.40) SCDDDR1MAPK11MAPK14DDR2
SCHEMBL5309158 0.90 SCD (0.52) SCDTSHRCXCR4
SCHEMBL5315085 0.90 SCD (0.51) SCDMAPK14CXCR4
SCHEMBL5315103 0.89 SCD (0.51) SCDMAPK14
SCHEMBL5309661 0.89 SCD (0.53) SCDEGLN1
SCHEMBL5309835 0.87 SCD (0.51) SCDEGLN1
SCHEMBL5314447 0.87 SCD (0.46) SCDMAPK11MAPK14EGLN1

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