SCHEMBL26437404

SCHEMBL26437404

Cc1cc(NC2CCCN(C)C2)nnc1-c1ncc(Cl)cc1O

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IL1B P01584 14/20 0.73
NLRP3 Q96P20 12/20 0.61

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
SCHEMBL26437414 0.90 NLRP3 (0.66) IL1BNLRP3
SCHEMBL26772355 0.90 NLRP3 (0.66) IL1BNLRP3
SCHEMBL26437733 0.88 IL1B (0.57) IL1BNLRP3
SCHEMBL26772358 0.88 NLRP3 (0.66) IL1BNLRP3
SCHEMBL26089492 0.85 IL1B (0.75) IL1BNLRP3
SCHEMBL26089483 0.85 IL1B (0.75) IL1BNLRP3
SCHEMBL26774236 0.85 IL1B (0.59) IL1BNLRP3
SCHEMBL31329525 0.84 IL1B (1.00) IL1BNLRP3
SCHEMBL22654937 0.84 IL1B (1.00) IL1BNLRP3
SCHEMBL22654859 0.84 IL1B (1.00) 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-2023066377-A1 NITROGEN-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 索智生物科技(浙江)有限公司 2023-04-27 WO disclosed