SCHEMBL1379527

SCHEMBL1379527

O=C(NCCC1CC1)c1ccc(N2CCN(C(=O)c3c(F)cccc3F)CC2)nn1

nearest known ligand 0.77

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SCD O00767 13/20 0.77

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
SCHEMBL1377986 0.89 SCD (0.82) SCD
SCHEMBL1380727 0.87 SCD (1.00) SCD
SCHEMBL1378079 0.85 SCD (0.73) SCD
SCHEMBL936926 0.85 SCD (0.57) SCD
SCHEMBL1378101 0.84 SCD (0.68) SCD
SCHEMBL2466037 0.84 SCD (0.56) SCD
SCHEMBL1378078 0.84 SCD (0.83) SCD
SCHEMBL5596966 0.83 SCD (0.72) SCD
SCHEMBL1377471 0.82 SCD (0.69) SCD
SCHEMBL1378459 0.82 SCD (0.78) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4808616-B2 2011-11-02 JP claimed
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
EP-1846035-B1 COMBINATION THERAPY XENON PHARMACEUTICALS INC (CA) 2011-09-21 EP disclosed
US-7919484-B2 Combination therapy XENON PHARMACEUTICALS INC. (CA) 2011-04-05 US disclosed