SCHEMBL20699080

SCHEMBL20699080

CC(C)c1cc(F)cc(C2CCOC2)c1CC(N)=O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 6/20 0.37
CNR2 P34972 2/20 0.33
CNR1 P21554 1/20 0.33
F2 P00734 2/20 0.32
PLG P00747 2/20 0.32
PLAU P00749 2/20 0.32
PLAT P00750 2/20 0.32
KLK1 P06870 2/20 0.32
PRSS1 P07477 2/20 0.32
ATR Q13535 1/20 0.32
CTSD P07339 3/20 0.31
BACE1 P56817 3/20 0.31
SOS1 Q07889 1/20 0.30

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
SCHEMBL25138933 0.86 NLRP3 (0.39) NLRP3CNR2CNR1
SCHEMBL20938130 0.82 PRMT5 (0.34) NLRP3CNR2CNR1F2PLG
SCHEMBL20681557 0.77 NLRP3 (0.39) NLRP3
SCHEMBL30791030 0.77 NLRP3 (0.39) NLRP3
SCHEMBL25139056 0.77 NLRP3 (0.35) NLRP3
SCHEMBL29178966 0.76 CNR1 (0.32) CNR2CNR1F2PLGPLAU
SCHEMBL29178967 0.76 F2 (0.31) CNR2CNR1F2PLGPLAU
SCHEMBL20698736 0.76 NLRP3 (0.40) NLRP3
SCHEMBL25139105 0.74 NLRP3 (0.34) NLRP3
SCHEMBL25139228 0.72 NLRP3 (0.38) NLRP3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3658538-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-04-19 EP disclosed
WO-2020102574-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed
WO-2019023145-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY IFM Tre, Inc. (US) 2019-01-31 WO disclosed