SCHEMBL30108751

SCHEMBL30108751

CN1CCC[C@@H](Nc2nnc(-c3ccc(Cl)cc3O)c3ccccc23)C1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IL1B P01584 10/20 0.66
NLRP3 Q96P20 11/20 0.66
KAT2B Q92831 2/20 0.50

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
SCHEMBL30214838 1.00 IL1B (0.66) IL1BNLRP3KAT2B
SCHEMBL26092308 1.00 IL1B (0.66) IL1BNLRP3KAT2B
SCHEMBL26092302 1.00 IL1B (0.66) IL1BNLRP3KAT2B
SCHEMBL26121073 0.90 NLRP3 (0.60) IL1BNLRP3KAT2B
SCHEMBL29275956 0.90 NLRP3 (0.68) IL1BNLRP3KAT2B
SCHEMBL29276173 0.90 NLRP3 (0.68) IL1BNLRP3KAT2B
SCHEMBL26113433 0.89 NLRP3 (0.57) IL1BNLRP3KAT2B
SCHEMBL24840289 0.89 NLRP3 (0.79) IL1BNLRP3KAT2B
SCHEMBL30040144 0.89 NLRP3 (0.79) IL1BNLRP3KAT2B
SCHEMBL24840759 0.89 NLRP3 (0.79) IL1BNLRP3KAT2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118302417-A NLRP3 inhibitors PTC医疗公司 2024-07-05 CN claimed
CN-118302417-A NLRP3 inhibitors PTC医疗公司 2024-07-05 CN disclosed
CN-116102535-A Nitrogen-containing compound, preparation method and application thereof 索智生物科技(浙江)有限公司 2023-05-12 CN disclosed
CN-115433163-A NLRP3 inflammasome inhibitor and application thereof 药捷安康(南京)科技股份有限公司 2022-12-06 CN disclosed