SCHEMBL31039679

SCHEMBL31039679

Cc1nc(N[C@@H]2CCCN(CCCc3ncco3)C2)nnc1-c1ccc2c(c1O)CCO2

nearest known ligand 0.93

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 12/20 0.93
LTA4H P09960 1/20 0.32
DRD2 P14416 4/20 0.32
HTR2A P28223 4/20 0.32
DRD3 P35462 4/20 0.32
MAPK10 P53779 2/20 0.32
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
JAK3 P52333 1/20 0.32

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
SCHEMBL27292614 1.00 NLRP3 (0.93) NLRP3LTA4HDRD2HTR2ADRD3
SCHEMBL31039692 0.96 NLRP3 (1.00) NLRP3LTA4HDRD2HTR2ADRD3
SCHEMBL27292542 0.96 NLRP3 (1.00) NLRP3LTA4HDRD2HTR2ADRD3
SCHEMBL27292536 0.96 NLRP3 (1.00) NLRP3LTA4HDRD2HTR2ADRD3
SCHEMBL27292480 0.87 NLRP3 (1.00) NLRP3
SCHEMBL31039682 0.87 NLRP3 (1.00) NLRP3
SCHEMBL31039673 0.86 NLRP3 (0.77) NLRP3
SCHEMBL27292424 0.86 NLRP3 (1.00) NLRP3
SCHEMBL31039686 0.86 NLRP3 (1.00) NLRP3
SCHEMBL31039727 0.85 NLRP3 (1.00) NLRP3DRD2HTR2ADRD3

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-4630417-A1 NOVEL COMPOUNDS AS MODULATORS OF NLRP3 INHIBITION F. Hoffmann-La Roche AG (CH) 2025-10-15 EP claimed
WO-2024121086-A1 NOVEL COMPOUNDS AS MODULATORS OF NLRP3 INHIBITION F. HOFFMANN-LA ROCHE AG (CH) 2024-06-13 WO claimed
EP-4630417-A1 NOVEL COMPOUNDS AS MODULATORS OF NLRP3 INHIBITION F. Hoffmann-La Roche AG (CH) 2025-10-15 EP disclosed
WO-2024121086-A1 NOVEL COMPOUNDS AS MODULATORS OF NLRP3 INHIBITION F. HOFFMANN-LA ROCHE AG (CH) 2024-06-13 WO disclosed