SCHEMBL2468549

SCHEMBL2468549

O=C(Nc1ccc(F)cn1)Oc1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nn1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SCD O00767 11/20 0.54
DCTPP1 Q9H773 2/20 0.50

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
SCHEMBL2465410 0.92 SCD (0.54) SCDDCTPP1
SCHEMBL2467884 0.91 SCD (0.60) SCDDCTPP1
SCHEMBL2466957 0.89 SCD (0.57) SCDDCTPP1
SCHEMBL2467951 0.89 SCD (0.51) SCDDCTPP1
SCHEMBL2466655 0.88 SCD (0.62) SCDDCTPP1
SCHEMBL2467962 0.87 SCD (0.57) SCDDCTPP1
SCHEMBL2466249 0.86 SCD (0.54) SCDDCTPP1
SCHEMBL2470220 0.86 SCD (0.58) SCDDCTPP1
SCHEMBL2470667 0.85 SCD (0.55) SCDDCTPP1
SCHEMBL937669 0.85 SCD (0.72) 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