SCHEMBL2462995

SCHEMBL2462995

O=C(NCCCc1ccccc1)Oc1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nn1

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SCD O00767 14/20 0.74
DCTPP1 Q9H773 2/20 0.66

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
SCHEMBL2467243 0.95 SCD (0.73) SCDDCTPP1
SCHEMBL2470074 0.94 SCD (0.66) SCDDCTPP1
SCHEMBL2468508 0.90 SCD (0.67) SCDDCTPP1
SCHEMBL2466765 0.90 SCD (0.65) SCDDCTPP1
SCHEMBL2469121 0.89 SCD (0.65) SCDDCTPP1
SCHEMBL2468393 0.89 SCD (0.74) SCDDCTPP1
SCHEMBL2472728 0.88 SCD (0.64) SCDDCTPP1
SCHEMBL2468444 0.88 SCD (0.74) SCDDCTPP1
SCHEMBL2464906 0.88 SCD (0.74) SCDDCTPP1
SCHEMBL2469801 0.88 SCD (0.74) 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 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