SCHEMBL24575672

SCHEMBL24575672

Cc1cc(N[C@@H]2CCCN(C)C2)nnc1-c1cc2c(cc1O)CCCC2

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ IL1B P01584 12/20 0.71
▸ NLRP3 Q96P20 14/20 0.70

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
SCHEMBL30480331 0.98 IL1B (0.71) IL1BNLRP3
SCHEMBL24575060 0.98 IL1B (0.71) IL1BNLRP3
SCHEMBL29027408 0.98 IL1B (0.71) IL1BNLRP3
SCHEMBL26772269 0.89 IL1B (0.77) IL1BNLRP3
SCHEMBL29027409 0.87 NLRP3 (0.69) IL1BNLRP3
SCHEMBL24575347 0.87 NLRP3 (0.69) IL1BNLRP3
SCHEMBL30480330 0.87 NLRP3 (0.69) IL1BNLRP3
SCHEMBL26772249 0.86 IL1B (0.73) IL1BNLRP3
SCHEMBL24575305 0.85 NLRP3 (0.75) IL1BNLRP3
SCHEMBL29696876 0.85 NLRP3 (0.75) 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-2022135567-A1 PYRIDAZINE-CONTAINING COMPOUND AND MEDICINAL USE THEREOF 上海拓界生物医药科技有限公司 2022-06-30 — — WO disclosed
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