SCHEMBL30833968

SCHEMBL30833968

Cc1cc(N[C@H]2CCCC[C@@]2(C)O)nnc1Cl

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.46
NR3C2 P08235 3/20 0.46
AR P10275 3/20 0.46
NR3C1 P04150 1/20 0.41
IL1B P01584 3/20 0.37
TRPA1 O75762 5/20 0.36
JAK1 P23458 3/20 0.35
JAK3 P52333 3/20 0.35
CHRM1 P11229 2/20 0.32
CYP2D6 P10635 1/20 0.32
SYK P43405 1/20 0.32
KCNH2 Q12809 1/20 0.32
JAK2 O60674 2/20 0.32
TYK2 P29597 2/20 0.32
TNF P01375 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NLRP3 Q96P20 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
SCHEMBL28670710 0.91 IL1B (0.39) PGRNR3C2ARNR3C1IL1B
SCHEMBL29325917 0.76 PGR (0.44) PGRNR3C2ARNR3C1TRPA1
SCHEMBL30157150 0.74 PGR (0.43) PGRNR3C2ARNR3C1TRPA1
SCHEMBL22655173 0.73 IL1B (0.62) IL1BKCNH2TNFNLRP3
SCHEMBL22655174 0.73 IL1B (0.62) IL1BKCNH2TNFNLRP3
SCHEMBL26943723 0.72 IL1B (0.45) IL1BCYP2D6SYKKCNH2TNF
SCHEMBL30833991 0.72 IL1B (0.45) IL1BCYP2D6SYKKCNH2TNF
SCHEMBL30833874 0.72 IL1B (0.45) IL1BCYP2D6SYKKCNH2TNF
SCHEMBL30834033 0.72 IL1B (0.46) PGRNR3C2ARIL1BCHRM1
SCHEMBL29325946 0.67 PGR (0.36) PGRNR3C2ARNR3C1

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-4613749-A1 NLRP3 INFLAMMASOME INHIBITOR AND USE THEREOF TransThera Sciences (Nanjing), Inc. (CN) 2025-09-10 EP disclosed
CN-117986258-A NLRP3 inflammation corpuscle inhibitor and application thereof 药捷安康(南京)科技股份有限公司 2024-05-07 CN disclosed