SCHEMBL19507331

SCHEMBL19507331

CC(C)c1cc(F)c(F)c(C(C)C)c1Br

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.34
GABRB1 P18505 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
SCHEMBL15082628 0.80 GABRA1 (0.31) GABRA1
SCHEMBL19507329 0.79
SCHEMBL21962051 0.77 ALB (0.33) GABRA1GABRB1
SCHEMBL20698782 0.76 NLRP3 (0.35) GABRA1GABRB1
SCHEMBL13377140 0.76 GABRA1 (0.31) GABRA1
SCHEMBL23012879 0.75 GABRA1 (0.34) GABRA1GABRB1
SCHEMBL9003976 0.74 CA1 (0.33)
SCHEMBL20681328 0.73
SCHEMBL30791039 0.73
SCHEMBL19507078 0.72 GABRA1 (0.31) GABRA1GABRB1

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-3445749-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2022-12-21 EP disclosed
WO-2017184604-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY IFM THERAPEUTICS, INC (US) 2017-10-26 WO disclosed