SCHEMBL1380908

SCHEMBL1380908

CC(C)CCNC(=O)c1ccc(N2CCN(C(=O)c3ccccc3S(N)(=O)=O)CC2)nn1

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SCD O00767 12/20 0.71
DCTPP1 Q9H773 1/20 0.53

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
SCHEMBL938284 0.92 SCD (0.72) SCDDCTPP1
SCHEMBL1378998 0.87 SCD (0.75) SCDDCTPP1
SCHEMBL2462941 0.85 SCD (0.52) SCDDCTPP1
SCHEMBL1379051 0.85 SCD (0.75) SCDDCTPP1
SCHEMBL1381136 0.83 SCD (1.00) SCDDCTPP1
SCHEMBL937950 0.82 SCD (0.71) SCDDCTPP1
SCHEMBL937862 0.81 SCD (0.50) SCDDCTPP1
SCHEMBL1378101 0.81 SCD (0.68) SCDDCTPP1
SCHEMBL27725803 0.80 SCD (0.66) SCDDCTPP1
SCHEMBL1378145 0.78 SCD (0.65) 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