SCHEMBL25797974

SCHEMBL25797974

COc1cc(C(F)(F)F)ccc1-c1cc(C)c(N[C@@H]2CCCN(C)C2)nn1

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IL1B P01584 18/20 0.79
NLRP3 Q96P20 7/20 0.54

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
SCHEMBL22655199 0.89 IL1B (1.00) IL1BNLRP3
SCHEMBL31329506 0.89 IL1B (1.00) IL1BNLRP3
SCHEMBL22654970 0.89 IL1B (1.00) IL1BNLRP3
SCHEMBL22654967 0.89 IL1B (1.00) IL1BNLRP3
SCHEMBL31329557 0.89 IL1B (1.00) IL1BNLRP3
SCHEMBL31329535 0.89 IL1B (1.00) IL1BNLRP3
SCHEMBL25797910 0.88 IL1B (0.84) IL1BNLRP3
SCHEMBL25798822 0.87 IL1B (0.82) IL1BNLRP3
SCHEMBL25802975 0.84 IL1B (0.78) IL1BNLRP3
SCHEMBL27204666 0.84 IL1B (0.58) 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-2023129987-A1 PYRIDAZINE DERIVATIVES AS MODULATORS OF NLRP3 INFLAMMASOME AND RELATED METHODS Neumora Therapeutics, Inc. (US) 2023-07-06 WO disclosed