SCHEMBL1380904

SCHEMBL1380904

O=C(NCCC1CC1)c1ccc(N2CCN(C(=O)N3CCCC3)CC2)nn1

nearest known ligand 0.70

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SCD O00767 13/20 0.70

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
SCHEMBL5596966 0.89 SCD (0.72) SCD
SCHEMBL1377156 0.87 SCD (0.67) SCD
SCHEMBL1377313 0.86 SCD (0.66) SCD
SCHEMBL1378549 0.86 SCD (0.81) SCD
SCHEMBL2468860 0.85 SCD (0.65) SCD
SCHEMBL1378079 0.84 SCD (0.73) SCD
SCHEMBL1380085 0.84 SCD (0.69) SCD
SCHEMBL1380903 0.84 SCD (0.69) SCD
SCHEMBL1378219 0.83 SCD (0.77) SCD
SCHEMBL937260 0.83 SCD (0.71) 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