SCHEMBL1600566

SCHEMBL1600566

O=C(c1ccccc1C(F)(F)F)N1CCN(c2ccc(NS(=O)(=O)CCCc3ccccc3)nc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCD O00767 14/20 0.63
DCTPP1 Q9H773 2/20 0.49
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTR2B P41595 1/20 0.46
MAPK14 Q16539 1/20 0.46

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
SCHEMBL1600483 0.89 SCD (0.61) SCD
SCHEMBL1600928 0.88 SCD (0.63) SCD
SCHEMBL1601034 0.84 SCD (0.65) SCDDCTPP1CYP2C9CYP2C19HTR2B
SCHEMBL1601644 0.83 SCD (0.63) SCDDCTPP1
SCHEMBL1601596 0.82 SCD (0.67) SCDDCTPP1CYP2C9CYP2C19HTR2B
SCHEMBL1599697 0.81 SCD (0.75) SCDDCTPP1CYP2C9CYP2C19HTR2B
SCHEMBL1599942 0.80 SCD (0.65) SCDDCTPP1CYP2C9CYP2C19HTR2B
SCHEMBL1601035 0.79 SCD (0.90) SCDDCTPP1
SCHEMBL1600545 0.79 SCD (0.57) SCDDCTPP1
SCHEMBL2468596 0.78 SCD (0.68) SCDDCTPP1CYP2C9CYP2C19HTR2B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651605-B1 PYRIDYL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2012-05-02 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