SCHEMBL1821369

SCHEMBL1821369

O=C(O)c1ccc(N2C=CN(C(=O)c3ccccc3C(F)(F)F)CC2)nn1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SCD O00767 15/20 0.51
DCTPP1 Q9H773 2/20 0.48

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
SCHEMBL5309234 0.79 SCD (0.52) SCDDCTPP1
SCHEMBL935839 0.79 SCD (0.77) SCDDCTPP1
SCHEMBL5309233 0.75 SCD (0.60) SCDDCTPP1
SCHEMBL5311048 0.74 SCD (0.49) SCDDCTPP1
SCHEMBL5311051 0.74 SCD (0.46) SCDDCTPP1
SCHEMBL936939 0.73 SCD (0.63) SCDDCTPP1
SCHEMBL939432 0.73 SCD (0.52) SCDDCTPP1
SCHEMBL5810613 0.72 SCD (0.54) SCDDCTPP1
SCHEMBL1816080 0.72 SCD (0.69) SCDDCTPP1
SCHEMBL936906 0.72 SCD (0.46) SCDDCTPP1

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
EP-2316827-A1 Piperazine derivatives and their use as therapeutic agents Xenon Pharmaceuticals Inc. (CA) 2011-05-04 EP disclosed