SCHEMBL1378078

SCHEMBL1378078

O=C(NCCC1CC1)c1ccc(N2CCN(C(=O)c3cc(F)ccc3F)CC2)nn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SCD O00767 13/20 0.83

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
SCHEMBL14870461 0.91 SCD (0.81) SCD
SCHEMBL1376938 0.91 SCD (1.00) SCD
SCHEMBL936814 0.90 SCD (1.00) SCD
SCHEMBL29438734 0.90 SCD (1.00) SCD
SCHEMBL1377986 0.89 SCD (0.82) SCD
SCHEMBL1377088 0.89 SCD (0.77) SCD
SCHEMBL1379099 0.88 SCD (1.00) SCD
SCHEMBL1380588 0.87 SCD (0.93) SCD
SCHEMBL1377901 0.87 SCD (0.93) SCD
SCHEMBL1377534 0.85 SCD (0.90) 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