SCHEMBL2462956

SCHEMBL2462956

CC(C)(C)C(O)CNC(=O)Oc1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nn1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SCD O00767 14/20 0.57
DCTPP1 Q9H773 2/20 0.54

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
SCHEMBL2468918 0.92 SCD (0.61) SCDDCTPP1
SCHEMBL2466025 0.90 SCD (0.55) SCDDCTPP1
SCHEMBL2470279 0.89 SCD (0.55) SCDDCTPP1
SCHEMBL2467645 0.88 SCD (0.74) SCDDCTPP1
SCHEMBL2464958 0.88 SCD (0.74) SCDDCTPP1
SCHEMBL2466890 0.87 SCD (0.57) SCDDCTPP1
SCHEMBL2469810 0.87 SCD (0.75) SCDDCTPP1
SCHEMBL2464956 0.86 SCD (0.58) SCDDCTPP1
SCHEMBL2469229 0.85 SCD (0.74) SCDDCTPP1
SCHEMBL2471105 0.85 SCD (0.59) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1648874-B1 PIPERAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2011-10-05 EP claimed
EP-1846035-B1 COMBINATION THERAPY XENON PHARMACEUTICALS INC (CA) 2011-09-21 EP claimed