SCHEMBL25798372

SCHEMBL25798372

CN1CCC[C@@H](Nc2nnc(-c3ccc(C(F)(F)F)cc3)cc2C(F)(F)F)C1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IL1B P01584 17/20 0.68
NLRP3 Q96P20 6/20 0.53
CHRNB2 P17787 2/20 0.49
CHRNB4 P30926 2/20 0.49
CHRNA3 P32297 2/20 0.49
CHRNA4 P43681 2/20 0.49

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
SCHEMBL25798588 0.92 IL1B (0.62) IL1BNLRP3CHRNB2CHRNB4CHRNA3
SCHEMBL25798270 0.92 IL1B (0.65) IL1BNLRP3
SCHEMBL25798976 0.91 IL1B (0.61) IL1BNLRP3
SCHEMBL25797976 0.89 IL1B (0.76) IL1BNLRP3CHRNB2CHRNB4CHRNA3
SCHEMBL25797975 0.88 IL1B (0.61) IL1BNLRP3CHRNB2CHRNB4CHRNA3
SCHEMBL25798326 0.87 IL1B (0.59) IL1BNLRP3CHRNB2CHRNB4CHRNA3
SCHEMBL25797913 0.87 IL1B (0.59) IL1BNLRP3CHRNB2CHRNB4CHRNA3
SCHEMBL25798330 0.86 IL1B (0.58) IL1BNLRP3CHRNB2CHRNB4CHRNA3
SCHEMBL25798894 0.83 IL1B (0.67) IL1BNLRP3CHRNB2CHRNB4CHRNA3
SCHEMBL25798125 0.81 IL1B (0.67) IL1BNLRP3CHRNB2CHRNB4CHRNA3

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