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Sugi Predict / Compounds / SCHEMBL25797909

SCHEMBL25797909

SCHEMBL25797909

CC(C)c1cc(N[C@@H]2CCCN(C)C2)nnc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ IL1B P01584 14/20 0.60
▸ NLRP3 Q96P20 8/20 0.60
▸ CHRNB2 P17787 2/20 0.47
▸ CHRNB4 P30926 2/20 0.47
▸ CHRNA3 P32297 2/20 0.47
▸ CHRNA4 P43681 2/20 0.47

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
SCHEMBL25798587 0.87 IL1B (0.66) IL1BNLRP3CHRNB2CHRNB4CHRNA3
SCHEMBL25798438 0.87 IL1B (0.75) IL1BNLRP3CHRNB2CHRNB4CHRNA3
SCHEMBL25798127 0.87 IL1B (0.75) IL1BNLRP3CHRNB2CHRNB4CHRNA3
SCHEMBL25298003 0.87 IL1B (0.75) IL1BNLRP3CHRNB2CHRNB4CHRNA3
SCHEMBL30519498 0.87 IL1B (0.75) IL1BNLRP3CHRNB2CHRNB4CHRNA3
SCHEMBL25298002 0.87 IL1B (0.75) IL1BNLRP3CHRNB2CHRNB4CHRNA3
SCHEMBL25798323 0.84 IL1B (0.60) IL1BNLRP3CHRNB2CHRNB4CHRNA3
SCHEMBL25797813 0.84 IL1B (0.60) IL1BNLRP3CHRNB2CHRNB4CHRNA3
SCHEMBL25798122 0.84 IL1B (0.60) IL1BNLRP3CHRNB2CHRNB4CHRNA3
SCHEMBL25798892 0.84 IL1B (0.71) 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