SCHEMBL22689523

SCHEMBL22689523

Cc1cc(C(F)(F)F)cc(O)c1-c1ccc(NC2CCN(C)C2)nn1.Cc1cc(C(F)(F)F)cc(O)c1-c1ccc(N[C@H]2CCN(C)C2)nn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ IL1B P01584 19/20 1.00
▸ NLRP3 Q96P20 7/20 1.00
▸ KCNH2 Q12809 1/20 0.72
▸ TNF P01375 2/20 0.70

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
SCHEMBL22654981 1.00 IL1B (1.00) IL1BNLRP3KCNH2TNF
SCHEMBL29508469 1.00 IL1B (1.00) IL1BNLRP3KCNH2TNF
SCHEMBL22689524 1.00 IL1B (1.00) IL1BNLRP3KCNH2TNF
SCHEMBL31329521 1.00 IL1B (1.00) IL1BNLRP3KCNH2TNF
SCHEMBL31329511 1.00 IL1B (1.00) IL1BNLRP3KCNH2TNF
SCHEMBL22655054 1.00 IL1B (1.00) IL1BNLRP3KCNH2TNF
SCHEMBL22654982 1.00 IL1B (1.00) IL1BNLRP3KCNH2TNF
SCHEMBL22654996 0.94 IL1B (1.00) IL1BNLRP3KCNH2TNF
SCHEMBL22654885 0.94 IL1B (1.00) IL1BNLRP3KCNH2TNF
SCHEMBL22654948 0.94 IL1B (1.00) IL1BNLRP3KCNH2TNF

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3969441-A1 NLRP3 INFLAMMASOME INHIBITORS Novartis AG (CH) 2022-03-23 — — EP claimed
WO-2020234715-A1 NLRP3 INFLAMMASOME INHIBITORS NOVARTIS AG (CH) 2020-11-26 — — WO claimed
EP-3969441-A1 NLRP3 INFLAMMASOME INHIBITORS Novartis AG (CH) 2022-03-23 — — EP disclosed
WO-2020234715-A1 NLRP3 INFLAMMASOME INHIBITORS NOVARTIS AG (CH) 2020-11-26 — — WO disclosed
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