SCHEMBL27291301

SCHEMBL27291301

Cn1ccc2c(-c3ccc(C#N)cc3O)nnc(N[C@@H]3CCCN(C4COC4)C3)c21

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 11/20 0.46
IL1B P01584 2/20 0.40
IRAK4 Q9NWZ3 6/20 0.39
KAT2B Q92831 1/20 0.37

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
SCHEMBL27291156 0.94 NLRP3 (0.49) NLRP3IL1BIRAK4
SCHEMBL27290528 0.88 NLRP3 (0.57) NLRP3IL1B
SCHEMBL28934499 0.86 NLRP3 (0.47) NLRP3IL1BIRAK4
SCHEMBL28934503 0.86 NLRP3 (0.47) NLRP3IL1BIRAK4
SCHEMBL30108801 0.86 NLRP3 (0.47) NLRP3IL1BIRAK4
SCHEMBL27290538 0.85 NLRP3 (0.65) NLRP3IL1B
SCHEMBL27291305 0.85 NLRP3 (0.48) NLRP3IL1B
SCHEMBL27298044 0.85 NLRP3 (0.48) NLRP3IL1B
SCHEMBL27291162 0.84 NLRP3 (0.55) NLRP3IL1B
SCHEMBL27291159 0.84 NLRP3 (0.55) NLRP3IL1B

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-2024006559-A1 MODULATORS OF NLRP3 INFLAMMASOME AND RELATED PRODUCTS AND METHODS Neumora Therapeutics, Inc. (US) 2024-01-04 WO disclosed