SCHEMBL22014779

SCHEMBL22014779

Cc1c(C(C)C)ccc(F)c1C(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
SLC6A2 P23975 2/20 0.34
HTR2B P41595 2/20 0.34
TRPA1 O75762 1/20 0.34
CHRM1 P11229 1/20 0.34
ADRA1A P35348 1/20 0.34
ANPEP P15144 1/20 0.31
DPP4 P27487 1/20 0.31
FAAH O00519 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
GABRA1 P14867 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30
PTGS1 P23219 1/20 0.30
HTR2C P28335 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
SCHEMBL12599606 0.83 ACHE (0.31)
SCHEMBL15082620 0.81 ANPEP (0.32) LMNASLC6A2HTR2BTRPA1CHRM1
SCHEMBL14866234 0.81 LMNA (0.37) LMNASLC6A2HTR2BTRPA1CHRM1
SCHEMBL12456152 0.79 LMNA (0.35) LMNASLC6A2HTR2BTRPA1CHRM1
SCHEMBL9945902 0.79 CHRM2 (0.34) LMNATRPA1CHRM1PTGS1
SCHEMBL17190308 0.79 ANPEP (0.35) LMNASLC6A2HTR2BTRPA1CHRM1
SCHEMBL12678215 0.77 ACHE (0.30) TRPA1
SCHEMBL24592517 0.76 LMNA (0.37) LMNASLC6A2HTR2BTRPA1CHRM1
SCHEMBL6280677 0.76 PDE2A (0.32) ANPEPDPP4
SCHEMBL30567321 0.76 PDE2A (0.32) ANPEPDPP4

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
WO-2021188450-A1 NLRP3 MODULATORS ZOMAGEN BIOSCIENCES LTD (US) 2021-09-23 WO 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