SCHEMBL2720243

SCHEMBL2720243

O=C(NCCc1ccc(C(F)(F)F)cc1)Oc1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cn1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCD O00767 13/20 0.67
DCTPP1 Q9H773 2/20 0.52
TP53 P04637 1/20 0.44
MDM2 Q00987 1/20 0.44
CYP3A4 P08684 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL2721222 0.95 SCD (0.60) SCDDCTPP1CYP3A4GAAMAPT
SCHEMBL2466196 0.94 SCD (0.75) SCDDCTPP1CYP2C9CYP2C19
SCHEMBL2721299 0.93 SCD (0.67) SCDDCTPP1SMN1; SMN2
SCHEMBL2466062 0.92 SCD (0.58) SCDDCTPP1CYP3A4GAAMAPT
SCHEMBL2468596 0.89 SCD (0.68) SCDDCTPP1CYP2C9CYP2C19
SCHEMBL2720925 0.89 SCD (0.60) SCDDCTPP1SMN1; SMN2
SCHEMBL1601062 0.86 SCD (0.88) SCDDCTPP1
SCHEMBL2466218 0.86 SCD (0.70) SCDDCTPP1
SCHEMBL2469413 0.86 SCD (0.74) SCDDCTPP1
SCHEMBL2469589 0.85 SCD (0.72) 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 1 patent. 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