SCHEMBL30833944

SCHEMBL30833944

C#Cc1ccc(-c2nnc(N[C@@H]3CCCN(C)C3)cc2C(C)C)c(OCOCC)c1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IL1B P01584 10/20 0.42
NLRP3 Q96P20 14/20 0.42
EGLN2 Q96KS0 1/20 0.35

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
SCHEMBL30833959 0.93 IL1B (0.42) IL1BNLRP3EGLN2
SCHEMBL30833994 0.93 IL1B (0.42) IL1BNLRP3EGLN2
SCHEMBL25257343 0.90 IL1B (0.54) IL1BNLRP3
SCHEMBL25296235 0.90 IL1B (0.54) IL1BNLRP3
SCHEMBL30834055 0.87 NLRP3 (0.44) IL1BNLRP3EGLN2
SCHEMBL30834013 0.87 IL1B (0.42) IL1BNLRP3
SCHEMBL30833986 0.84 NLRP3 (0.48) IL1BNLRP3
SCHEMBL30833864 0.84 IL1B (0.57) IL1BNLRP3
SCHEMBL31681911 0.83 NLRP3 (0.41) IL1BNLRP3EGLN2
SCHEMBL29030496 0.82 NLRP3 (0.41) IL1BNLRP3

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