SCHEMBL25798261

SCHEMBL25798261

Cc1cc(-c2ccc(OC(F)(F)F)cc2)nnc1N[C@@H]1CCCN(C)C1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IL1B P01584 17/20 0.61
NLRP3 Q96P20 7/20 0.46
GABBR2 O75899 1/20 0.45
GABBR1 Q9UBS5 1/20 0.45

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
SCHEMBL25798119 0.88 IL1B (0.57) IL1BNLRP3
SCHEMBL25797976 0.87 IL1B (0.76) IL1BNLRP3
SCHEMBL25798115 0.85 IL1B (0.62) IL1BNLRP3
SCHEMBL25798263 0.85 IL1B (0.61) IL1BNLRP3
SCHEMBL25798524 0.83 IL1B (0.59) IL1BNLRP3
SCHEMBL25798316 0.83 IL1B (0.65) IL1BNLRP3
SCHEMBL25798314 0.82 IL1B (0.58) IL1BNLRP3
SCHEMBL25798375 0.81 IL1B (0.60) IL1BNLRP3
SCHEMBL25798435 0.81 IL1B (0.60) IL1BNLRP3
SCHEMBL25798321 0.81 IL1B (0.57) 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