SCHEMBL5309652

SCHEMBL5309652

O=C(NCc1ccccc1)c1ccc(N2C=CCN(C(=O)c3ccccc3C(F)(F)F)C2=O)nc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCD O00767 4/20 0.54
DCTPP1 Q9H773 2/20 0.48
EGLN1 Q9GZT9 6/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
EPHX2 P34913 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
PTK2 Q05397 1/20 0.41
HPGDS O60760 1/20 0.41
HSP90AA1 P07900 2/20 0.40
HSP90AB1 P08238 2/20 0.40

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
SCHEMBL5307066 0.94 SCD (0.48) SCDDCTPP1EGLN1KDM4EALDH1A1
SCHEMBL5312326 0.91 SCD (0.45) SCDDCTPP1EGLN1KDM4EALDH1A1
SCHEMBL5309835 0.90 SCD (0.51) SCDDCTPP1EGLN1
SCHEMBL5309874 0.89 SCD (0.46) SCDKDM4EALDH1A1RAB9AEPHX2
SCHEMBL5309661 0.88 SCD (0.53) SCDDCTPP1EGLN1
SCHEMBL5315077 0.87 SCD (0.47) SCDEGLN1
SCHEMBL5307539 0.87 SCD (0.47) SCD
SCHEMBL5309118 0.87 SCD (0.51) SCDEGLN1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL5309158 0.87 SCD (0.52) SCDDCTPP1
SCHEMBL5315085 0.86 SCD (0.51) 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