SCHEMBL5314447

SCHEMBL5314447

O=C(NC1CC1)c1ccc(N2C=CCN(C(=O)c3ccccc3C(F)(F)F)C2=O)nc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCD O00767 3/20 0.46
HPGDS O60760 7/20 0.41
MAPK14 Q16539 2/20 0.39
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
RORC P51449 1/20 0.38
KMT2A Q03164 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
DPP4 P27487 3/20 0.38
DPP7 Q9UHL4 3/20 0.38
PTGES O14684 1/20 0.37

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
SCHEMBL5307539 0.88 SCD (0.47) SCD
SCHEMBL5309118 0.88 SCD (0.51) SCDEGLN1
SCHEMBL5315077 0.87 SCD (0.47) SCDMAPK14MAPK11RORCEGLN1
SCHEMBL5309062 0.87 SCD (0.51) SCDMAPK14MAPK11EGLN1
SCHEMBL5307018 0.86 MEN1 (0.41) HPGDSKMT2AEGLN1
SCHEMBL5309661 0.86 SCD (0.53) SCDEGLN1
SCHEMBL5307184 0.86 SCD (0.51) SCDMAPK14MAPK11EGLN1
SCHEMBL5309835 0.86 SCD (0.51) SCDEGLN1
SCHEMBL5309158 0.85 SCD (0.52) SCD
SCHEMBL5307042 0.84 SCD (0.42) SCDKMT2APTGES

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