SCHEMBL17233182

SCHEMBL17233182

CC(C)(C)[S@+]([O-])N=Cc1cc(Br)cc(C(F)(F)F)c1

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.34

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
SCHEMBL25622387 1.00 NOTUM (0.34) NOTUM
SCHEMBL17233183 1.00 NOTUM (0.34) NOTUM
SCHEMBL17233181 1.00 NOTUM (0.34) NOTUM
SCHEMBL15215467 1.00 NOTUM (0.34) NOTUM
SCHEMBL31088872 1.00 NOTUM (0.34) NOTUM
SCHEMBL17233146 0.89 FBP1 (0.31)
SCHEMBL17243756 0.89 FBP1 (0.31)
SCHEMBL17233211 0.89 FBP1 (0.31)
SCHEMBL17233148 0.89 FBP1 (0.31)
SCHEMBL15212873 0.89 FBP1 (0.31)

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-2817312-B1 NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS LEO PHARMA AS (DK) 2016-02-17 EP disclosed
US-9181259-B2 Substituted pyrrolo[1,2-a]piperazines and pyrrolo[1,2-a][1,4]diazepines as neurokinin 1 receptor antagonists LEO PHARMA A/S (DK) 2015-11-10 US disclosed