SCHEMBL31553136

SCHEMBL31553136

N[C@@H]1CCCC(=C(F)F)C1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.35
MAPT P10636 2/20 0.32
NFKB1 P19838 1/20 0.32
THPO P40225 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KDM4E B2RXH2 1/20 0.31
PLAU P00749 1/20 0.30

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
SCHEMBL24817112 0.75
SCHEMBL26530458 0.73 OAT (0.31) ALDH1A1
SCHEMBL17365752 0.70 MAPT (0.32) MAPTNFKB1THPOHIF1AHSD17B10
Hydrochloric Acid SCHEMBL31554082 0.69 MAPT (0.31) MAPTNFKB1THPOHIF1AHSD17B10
SCHEMBL28140391 0.69
SCHEMBL3680593 0.65
SCHEMBL18735437 0.65
SCHEMBL1578892 0.65
SCHEMBL8402325 0.64
SCHEMBL25219266 0.64

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
CN-119841831-A Fused heterocyclic NLRP3 inhibitor compound, pharmaceutical composition, and preparation method and application thereof 长春金赛药业有限责任公司 2025-04-18 CN disclosed