SCHEMBL27224457

SCHEMBL27224457

CC(C)(C)OC(=O)N1Cc2c(N[C@@H]3CCCC[C@H]3O)nnc(-c3ccc(C(F)(F)F)cc3O)c2C1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 5/20 0.62
▸ KCNH2 Q12809 1/20 0.62
▸ IL1B P01584 7/20 0.42
▸ MAPT P10636 1/20 0.40
▸ TNF P01375 2/20 0.39
▸ GPR119 Q8TDV5 4/20 0.36
▸ ENPP2 Q13822 1/20 0.35
▸ STS P08842 1/20 0.34
▸ CNR1 P21554 2/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ SYK P43405 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
SCHEMBL30932818 1.00 NLRP3 (0.62) NLRP3KCNH2IL1BMAPTTNF
SCHEMBL27224470 0.94 NLRP3 (0.59) NLRP3KCNH2IL1BMAPTTNF
SCHEMBL30932875 0.94 NLRP3 (0.59) NLRP3KCNH2IL1BMAPTTNF
SCHEMBL30157129 0.89 NLRP3 (0.67) NLRP3KCNH2IL1BTNFCNR1
SCHEMBL27224429 0.89 NLRP3 (0.67) NLRP3KCNH2IL1BTNFCNR1
SCHEMBL30157075 0.85 NLRP3 (0.72) NLRP3KCNH2IL1BTNF
SCHEMBL27224458 0.85 NLRP3 (0.72) NLRP3KCNH2IL1BTNF
SCHEMBL30157058 0.84 NLRP3 (0.63) NLRP3KCNH2IL1BTNF
SCHEMBL27224451 0.84 NLRP3 (0.63) NLRP3KCNH2IL1BTNF
SCHEMBL30156937 0.80 NLRP3 (0.67) 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
EP-4375274-A1 ANNULATED PYRIDAZINE COMPOUND Nico Therapeutics, Inc. (US) 2024-05-29 — — EP disclosed
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