SCHEMBL2466845

SCHEMBL2466845

O=C(NCCC1CC1)Oc1ccc(N2CCN(C(=O)C3CC3C(F)(F)F)CC2)nn1

nearest known ligand 0.51

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SCD O00767 13/20 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
SCHEMBL2468370 0.89 SCD (0.48) SCD
SCHEMBL2466161 0.85 SCD (0.50) SCD
SCHEMBL2465831 0.85 SCD (0.47) SCD
SCHEMBL2468435 0.84 SCD (0.46) SCD
SCHEMBL1376507 0.84 SCD (0.68) SCD
SCHEMBL2470621 0.84 SCD (0.46) SCD
SCHEMBL2470143 0.83 SCD (0.51) SCD
SCHEMBL2469951 0.82 SCD (0.48) SCD
SCHEMBL2466633 0.82 SCD (0.72) SCD
SCHEMBL2471072 0.82 SCD (0.47) 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 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