SCHEMBL2468543

SCHEMBL2468543

CC(C)CCNC(=O)Oc1ccc(N2CCN(C(=O)c3ccccc3N)CC2)nn1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SCD O00767 9/20 0.55
DCTPP1 Q9H773 1/20 0.40

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
SCHEMBL2468541 0.89 SCD (0.55) SCD
SCHEMBL2462941 0.88 SCD (0.52) SCDDCTPP1
SCHEMBL2469229 0.87 SCD (0.74) SCDDCTPP1
SCHEMBL2463401 0.86 SCD (0.52) SCD
SCHEMBL1378998 0.84 SCD (0.75) SCDDCTPP1
SCHEMBL2464963 0.83 SCD (0.49) SCD
SCHEMBL2464511 0.82 L3MBTL1 (0.56) SCD
SCHEMBL2464967 0.82 SCD (0.67) SCDDCTPP1
SCHEMBL2464895 0.79 SCD (0.59) SCDDCTPP1
SCHEMBL2466638 0.79 SCD (0.59) 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