SCHEMBL1661566

SCHEMBL1661566

CCn1nc(Oc2ccc(S(=O)(=O)C(F)(F)F)cc2)cc1-c1cccc(C(C)(C)N)c1

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 1/20 0.40
SCN9A Q15858 18/20 0.37

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
SCHEMBL1661510 0.87 DYRK1A (0.40) SCN9A
SCHEMBL1660621 0.85 DYRK1A (0.36) SCN9A
SCHEMBL14727667 0.84 LRRK2 (0.36)
SCHEMBL14717156 0.77 SCN9A (0.37) SCN9A
SCHEMBL1660820 0.77 SCN9A (0.37) SCN9A
SCHEMBL14718522 0.76 SCN9A (0.37) SCN9A
SCHEMBL14727724 0.76 SCN9A (0.39) SCN9A
SCHEMBL6903438 0.75 SCN9A (0.38) SCN9A
SCHEMBL14727933 0.75 SCN9A (0.38) SCN9A
SCHEMBL6902712 0.75 SCN9A (0.36) SCN9A

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-2488031-A1 DIARYL ETHER DERIVATIVES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-08-22 EP disclosed
WO-2011046774-A1 DIARYL ETHER DERIVATIVES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-04-21 WO disclosed