SCHEMBL22015051

SCHEMBL22015051

CC(C)c1cc(C#N)cc(C2CC2)c1CC(=O)/N=[SiH]/c1ccc(CN(C)C)cc1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
NLRP3 Q96P20 1/20 0.31

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
SCHEMBL25067028 0.84 NLRP3 (0.36) SLC6A2SLC6A4NLRP3
SCHEMBL22014337 0.84 NLRP3 (0.36) SLC6A2SLC6A4NLRP3
SCHEMBL25066905 0.84 NLRP3 (0.36) SLC6A2SLC6A4NLRP3
SCHEMBL25139280 0.83 SLC6A2 (0.30) SLC6A2SLC6A4NLRP3
SCHEMBL25067179 0.83 FASN (0.30) SLC6A2SLC6A4NLRP3
SCHEMBL22015611 0.82 NLRP3 (0.36) SLC6A2SLC6A4NLRP3
SCHEMBL23692130 0.81 ROCK2 (0.33) SLC6A2SLC6A4NLRP3
SCHEMBL20698685 0.79 NLRP3 (0.31) NLRP3
SCHEMBL22014363 0.79 FASN (0.32)
SCHEMBL20699083 0.79 KDM1A (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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020102574-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed