SCHEMBL1601631

SCHEMBL1601631

CCCCCC(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cn1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCD O00767 12/20 0.63
MAPT P10636 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
WNT3A P56704 3/20 0.47

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
SCHEMBL1601058 0.99 SCD (0.65) SCDMAPTSMN1; SMN2LMNAHTT
SCHEMBL1601034 0.89 SCD (0.65) SCDSMN1; SMN2WNT3A
SCHEMBL1600782 0.88 SCD (0.71) SCD
SCHEMBL1600530 0.87 SCD (0.67) SCD
SCHEMBL1601596 0.86 SCD (0.67) SCDLMNAWNT3A
SCHEMBL1600545 0.86 SCD (0.57) SCDSMN1; SMN2WNT3A
SCHEMBL939097 0.85 SCD (0.67) SCD
SCHEMBL1601883 0.84 SCD (0.59) SCDSMN1; SMN2WNT3A
SCHEMBL1600483 0.84 SCD (0.61) SCD
SCHEMBL1600928 0.83 SCD (0.63) SCD

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