SCHEMBL5393263

SCHEMBL5393263

NC(=O)CC1CC1.O=C(O)c1ccc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3C(F)(F)F)CC2)nn1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SCD O00767 16/20 0.57
DCTPP1 Q9H773 2/20 0.49

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
SCHEMBL936090 0.89 SCD (0.58) SCDDCTPP1
SCHEMBL1600785 0.82 SCD (0.84) SCDDCTPP1
SCHEMBL938538 0.81 SCD (0.58) SCDDCTPP1
SCHEMBL937130 0.79 SCD (0.69) SCDDCTPP1
SCHEMBL935839 0.76 SCD (0.77) SCDDCTPP1
SCHEMBL27654407 0.76 SCD (0.69) SCDDCTPP1
SCHEMBL1599828 0.75 SCD (0.84) SCDDCTPP1
SCHEMBL2464781 0.75 SCD (0.62) SCD
SCHEMBL27633597 0.74 SCD (0.69) SCDDCTPP1
SCHEMBL27654402 0.74 SCD (0.71) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007500717-A 2007-01-18 JP claimed
EP-1648874-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-04-26 EP claimed
WO-2005011655-A2 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2005-02-10 WO claimed