SCHEMBL1601062

SCHEMBL1601062

O=C(NCCc1ccc(C(F)(F)F)cc1)c1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cn1

nearest known ligand 0.88

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SCD O00767 15/20 0.88
DCTPP1 Q9H773 2/20 0.65

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
SCHEMBL1600692 0.95 SCD (0.80) SCDDCTPP1
SCHEMBL1601540 0.94 SCD (1.00) SCDDCTPP1
SCHEMBL1599640 0.93 SCD (0.88) SCDDCTPP1
SCHEMBL1600535 0.91 SCD (0.73) SCDDCTPP1
SCHEMBL1601035 0.89 SCD (0.90) SCDDCTPP1
SCHEMBL1599652 0.88 SCD (0.80) SCDDCTPP1
SCHEMBL2720243 0.86 SCD (0.67) SCDDCTPP1
SCHEMBL1601541 0.84 SCD (1.00) SCDDCTPP1
SCHEMBL1601624 0.84 SCD (0.79) SCDDCTPP1
SCHEMBL1599947 0.83 SCD (0.81) 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-1846035-B1 COMBINATION THERAPY XENON PHARMACEUTICALS INC (CA) 2011-09-21 EP claimed
US-7919484-B2 Combination therapy XENON PHARMACEUTICALS INC. (CA) 2011-04-05 US disclosed