SCHEMBL30488592

SCHEMBL30488592

C#Cc1ccc(-c2nnc(N[C@@H]3CCCN(CCO)C3)cc2C)c(O)c1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 13/20 0.69
IL1B P01584 9/20 0.58

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
SCHEMBL25257733 1.00 NLRP3 (0.69) NLRP3IL1B
SCHEMBL25296688 1.00 NLRP3 (0.69) NLRP3IL1B
SCHEMBL30833871 0.91 NLRP3 (0.83) NLRP3IL1B
SCHEMBL29030578 0.90 NLRP3 (0.68) NLRP3IL1B
SCHEMBL25856516 0.90 NLRP3 (0.68) NLRP3IL1B
SCHEMBL29030570 0.89 NLRP3 (0.64) NLRP3IL1B
SCHEMBL25255374 0.89 NLRP3 (0.73) NLRP3IL1B
SCHEMBL25300120 0.89 NLRP3 (0.73) NLRP3IL1B
SCHEMBL30833996 0.89 NLRP3 (0.54) NLRP3IL1B
SCHEMBL25301834 0.88 IL1B (0.74) 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
CN-119798221-A NLRP3 inflammation corpuscle inhibitor and application thereof 药捷安康(南京)科技股份有限公司 2025-04-11 CN 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