SCHEMBL30895758

SCHEMBL30895758

Cc1c(-c2ccc(C(F)(F)F)cc2O)nnc(N[C@@H]2CCCC[C@H]2O)c1CNC(=O)OC(C)(C)C

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 6/20 0.68
▸ KCNH2 Q12809 1/20 0.68
▸ IL1B P01584 8/20 0.45
▸ TNF P01375 2/20 0.39
▸ CCR2 P41597 3/20 0.35
▸ CNR1 P21554 4/20 0.34
▸ CNR2 P34972 2/20 0.34
▸ CACNA1H O95180 1/20 0.33
▸ CACNA1B Q00975 1/20 0.33
▸ CACNA1C Q13936 1/20 0.33

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
SCHEMBL31620217 0.83 NLRP3 (0.80) NLRP3KCNH2IL1BTNFCNR1
SCHEMBL31679496 0.83 NLRP3 (0.66) NLRP3KCNH2IL1BTNFCNR1
SCHEMBL30041647 0.82 NLRP3 (1.00) NLRP3KCNH2IL1BTNF
Hydrochloric Acid SCHEMBL30041699 0.81 NLRP3 (0.98) NLRP3KCNH2IL1BTNF
SCHEMBL30895755 0.78 KCNH2 (0.36) NLRP3KCNH2CACNA1B
SCHEMBL27224457 0.77 NLRP3 (0.62) NLRP3KCNH2IL1BTNFCNR1
SCHEMBL30932818 0.77 NLRP3 (0.62) NLRP3KCNH2IL1BTNFCNR1
SCHEMBL30157241 0.75 NLRP3 (0.54) NLRP3KCNH2IL1BTNFCCR2
SCHEMBL30932875 0.75 NLRP3 (0.59) NLRP3KCNH2IL1BTNF
SCHEMBL27224470 0.75 NLRP3 (0.59) NLRP3KCNH2IL1BTNF

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-2024090469-A1 FUSED PYRIDAZINE DERIVATIVE アステラス製薬株式会社 2024-05-02 — — WO disclosed
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