SCHEMBL25256463

SCHEMBL25256463

CCOCOc1cc(C=O)ccc1-c1nnc(N[C@@H]2CCCN(C)C2)nc1C

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 16/20 0.40
IL1B P01584 6/20 0.38

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
SCHEMBL30488549 1.00 NLRP3 (0.40) NLRP3IL1B
SCHEMBL25301931 1.00 NLRP3 (0.40) NLRP3IL1B
SCHEMBL30834002 0.91 NLRP3 (0.38) NLRP3
SCHEMBL25303599 0.91 NLRP3 (0.38) NLRP3IL1B
SCHEMBL30488514 0.91 NLRP3 (0.38) NLRP3IL1B
SCHEMBL25303600 0.91 NLRP3 (0.38) NLRP3IL1B
SCHEMBL25301680 0.87 NLRP3 (0.49) NLRP3IL1B
SCHEMBL25301678 0.87 NLRP3 (0.49) NLRP3IL1B
SCHEMBL25299227 0.86 IL1B (0.54) NLRP3IL1B
SCHEMBL25299226 0.86 IL1B (0.54) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023131277-A1 NLRP3 INFLAMMASOME INHIBITOR AND USES THEREOF 药捷安康(南京)科技股份有限公司 2023-07-13 WO disclosed
CN-116410140-A NLRP3 inflammation corpuscle inhibitor and application thereof 药捷安康(南京)科技股份有限公司 2023-07-11 CN disclosed