SCHEMBL5606402

SCHEMBL5606402

O=C(O)c1ccc(N2CCN(C(=O)C(F)C(O)(C(F)F)C(F)(F)F)CC2)nn1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
SCD O00767 11/20 0.41
DCTPP1 Q9H773 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
SCHEMBL936244 0.79 SCD (0.46) SCDDCTPP1
SCHEMBL937848 0.77 SCD (0.55) SCDDCTPP1
SCHEMBL937098 0.76 PANK3 (0.45) SCDDCTPP1
SCHEMBL937866 0.76 SCD (0.65) MAPK1SCDDCTPP1
SCHEMBL938660 0.74 SCD (0.48) SCDDCTPP1
SCHEMBL27701913 0.74 SCD (0.44) SCDDCTPP1
SCHEMBL938002 0.74 LMNA (0.48) SCDDCTPP1
SCHEMBL27654397 0.74 PANK3 (0.50) SCDDCTPP1
SCHEMBL5135052 0.74 SCD (0.45) SCDDCTPP1
SCHEMBL24620129 0.73 BPTF (0.54) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1846035-A2 COMBINATION THERAPY XENON PHARMACEUTICALS INC. (CA) 2007-10-24 EP disclosed
WO-2006086445-A2 COMBINATION THERAPY XENON PHARMACEUTICALS INC. (CA) 2006-08-17 WO disclosed