SCHEMBL27224470

SCHEMBL27224470

CC(C)(C)OC(=O)N1CCc2c(-c3ccc(C(F)(F)F)cc3O)nnc(N[C@@H]3CCCC[C@H]3O)c2C1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 5/20 0.59
▸ KCNH2 Q12809 1/20 0.59
▸ IL1B P01584 5/20 0.42
▸ MAPT P10636 1/20 0.40
▸ SCN9A Q15858 2/20 0.37
▸ SCN5A Q14524 1/20 0.37
▸ TNF P01375 1/20 0.37
▸ RAF1 P04049 1/20 0.36
▸ BRAF P15056 1/20 0.36
▸ GPR119 Q8TDV5 3/20 0.36
▸ CYP8B1 Q9UNU6 1/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ RORC P51449 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ PTK2 Q05397 1/20 0.35

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
SCHEMBL30932875 1.00 NLRP3 (0.59) NLRP3KCNH2IL1BMAPTSCN9A
SCHEMBL27224457 0.94 NLRP3 (0.62) NLRP3KCNH2IL1BMAPTTNF
SCHEMBL30932818 0.94 NLRP3 (0.62) NLRP3KCNH2IL1BMAPTTNF
SCHEMBL30157058 0.90 NLRP3 (0.63) NLRP3KCNH2IL1BTNF
SCHEMBL27224451 0.90 NLRP3 (0.63) NLRP3KCNH2IL1BTNF
SCHEMBL27224429 0.84 NLRP3 (0.67) NLRP3KCNH2IL1BTNF
SCHEMBL30157129 0.84 NLRP3 (0.67) NLRP3KCNH2IL1BTNF
SCHEMBL30156937 0.84 NLRP3 (0.67) NLRP3KCNH2IL1BTNF
SCHEMBL27224407 0.84 NLRP3 (0.67) NLRP3KCNH2IL1BTNF
SCHEMBL30157080 0.83 NLRP3 (0.62) NLRP3KCNH2IL1BSCN9ASCN5A

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
Send feedback