SCHEMBL30101099

SCHEMBL30101099

CN1CCC[C@@H](Nc2nnc(-c3ccc(C#N)cc3O)c3sccc23)C1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 14/20 0.57
IL1B P01584 8/20 0.51

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
SCHEMBL30101119 0.93 NLRP3 (0.57) NLRP3IL1B
SCHEMBL30108717 0.87 NLRP3 (0.75) NLRP3IL1B
SCHEMBL30108681 0.86 NLRP3 (0.77) NLRP3IL1B
SCHEMBL28934477 0.86 NLRP3 (0.62) NLRP3IL1B
SCHEMBL28934482 0.86 NLRP3 (0.62) NLRP3IL1B
SCHEMBL30108648 0.86 NLRP3 (0.62) NLRP3IL1B
SCHEMBL27291027 0.84 NLRP3 (0.56) NLRP3IL1B
SCHEMBL24840453 0.84 IL1B (0.74) NLRP3IL1B
SCHEMBL29275938 0.84 IL1B (0.74) NLRP3IL1B
SCHEMBL28934553 0.84 NLRP3 (0.67) NLRP3IL1B

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-2022253326-A1 NLRP3 INFLAMMASOME INHIBITOR AND APPLICATION THEREOF 药捷安康(南京)科技股份有限公司 2022-12-08 WO 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