SCHEMBL25798980

SCHEMBL25798980

Cc1cc(C(F)(F)F)ccc1-c1nnc(N[C@@H]2CCCN(C)C2)cc1O

nearest known ligand 0.84

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IL1B P01584 16/20 0.84
NLRP3 Q96P20 9/20 0.84

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
SCHEMBL25797809 0.92 IL1B (0.87) IL1BNLRP3
SCHEMBL22654829 0.91 IL1B (1.00) IL1BNLRP3
SCHEMBL22654851 0.91 IL1B (1.00) IL1BNLRP3
SCHEMBL22654826 0.91 IL1B (1.00) IL1BNLRP3
SCHEMBL25798824 0.87 IL1B (0.70) IL1BNLRP3
SCHEMBL22654870 0.87 IL1B (1.00) IL1BNLRP3
SCHEMBL22654871 0.87 IL1B (1.00) IL1BNLRP3
SCHEMBL22655033 0.87 IL1B (1.00) IL1BNLRP3
SCHEMBL25797799 0.85 IL1B (0.82) IL1BNLRP3
SCHEMBL26774050 0.85 IL1B (0.89) 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