SCHEMBL25856430

SCHEMBL25856430

Cc1cc(NC2CCCN(C)C2)nnc1-c1ccc(C#CCO)cc1O

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IL1B P01584 10/20 0.69
NLRP3 Q96P20 13/20 0.68

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
SCHEMBL25856166 0.90 IL1B (0.72) IL1BNLRP3
SCHEMBL29030538 0.90 IL1B (0.72) IL1BNLRP3
SCHEMBL25864813 0.89 IL1B (0.74) IL1BNLRP3
SCHEMBL25301834 0.89 IL1B (0.74) IL1BNLRP3
SCHEMBL30488597 0.89 IL1B (0.74) IL1BNLRP3
SCHEMBL25301833 0.89 IL1B (0.74) IL1BNLRP3
SCHEMBL25303261 0.88 IL1B (0.70) IL1BNLRP3
SCHEMBL25262152 0.88 IL1B (0.70) IL1BNLRP3
SCHEMBL30488618 0.88 IL1B (0.70) IL1BNLRP3
SCHEMBL26773537 0.87 NLRP3 (0.78) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023131277-A1 NLRP3 INFLAMMASOME INHIBITOR AND USES THEREOF 药捷安康(南京)科技股份有限公司 2023-07-13 WO disclosed