SCHEMBL1380741

SCHEMBL1380741

O=C(NCc1ccccn1)c1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SCD O00767 14/20 0.77
DCTPP1 Q9H773 2/20 0.77

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
SCHEMBL1378634 0.91 SCD (0.78) SCDDCTPP1
SCHEMBL1380200 0.86 SCD (0.69) SCDDCTPP1
SCHEMBL2471047 0.85 SCD (0.59) SCDDCTPP1
SCHEMBL937709 0.84 SCD (0.76) SCDDCTPP1
SCHEMBL937986 0.84 SCD (0.79) SCDDCTPP1
SCHEMBL27704763 0.83 SCD (0.79) SCDDCTPP1
SCHEMBL1377098 0.83 SCD (0.84) SCDDCTPP1
SCHEMBL1376607 0.83 SCD (0.86) SCDDCTPP1
SCHEMBL937238 0.82 SCD (0.81) SCDDCTPP1
SCHEMBL937531 0.82 SCD (1.00) SCDDCTPP1

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