SCHEMBL2468596

SCHEMBL2468596

O=C(NCCCc1ccccc1)Oc1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cn1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCD O00767 15/20 0.68
DCTPP1 Q9H773 2/20 0.53
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
SCHEMBL2466196 0.95 SCD (0.75) SCDDCTPP1CYP2C9CYP2C19HTR2B
SCHEMBL2721222 0.94 SCD (0.60) SCDDCTPP1CYP2C9CYP2C19
SCHEMBL2720925 0.94 SCD (0.60) SCDDCTPP1
SCHEMBL2467222 0.91 SCD (0.64) SCDDCTPP1CYP2C9CYP2C19HTR2B
SCHEMBL2466218 0.90 SCD (0.70) SCDDCTPP1
SCHEMBL2720243 0.89 SCD (0.67) SCDDCTPP1CYP2C9CYP2C19
SCHEMBL2721299 0.89 SCD (0.67) SCDDCTPP1
SCHEMBL2469792 0.89 SCD (0.63) SCDDCTPP1
SCHEMBL2469589 0.89 SCD (0.72) SCDDCTPP1
SCHEMBL2721368 0.87 SCD (0.55) 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 2 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