SCHEMBL30834019

SCHEMBL30834019

C#Cc1ccc(-c2nnc(N[C@@H]3CCCN(CCO)C3)nc2C2CC2)c(O)c1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 13/20 0.49
IL1B P01584 4/20 0.39
ROCK2 O75116 4/20 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
SCHEMBL30833987 0.90 NLRP3 (0.56) NLRP3IL1BROCK2
SCHEMBL30834001 0.89 NLRP3 (0.62) NLRP3IL1B
SCHEMBL31548627 0.88 NLRP3 (0.52) NLRP3IL1B
SCHEMBL29030494 0.88 NLRP3 (0.52) NLRP3IL1B
SCHEMBL30488485 0.88 NLRP3 (0.52) NLRP3IL1B
SCHEMBL25856238 0.88 NLRP3 (0.52) NLRP3IL1B
SCHEMBL30834010 0.86 NLRP3 (0.44) NLRP3IL1BROCK2
SCHEMBL30833920 0.85 NLRP3 (0.40) NLRP3IL1B
SCHEMBL30833996 0.83 NLRP3 (0.54) NLRP3IL1BROCK2
SCHEMBL30833977 0.83 NLRP3 (0.45) 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
EP-4613749-A1 NLRP3 INFLAMMASOME INHIBITOR AND USE THEREOF TransThera Sciences (Nanjing), Inc. (CN) 2025-09-10 EP disclosed
CN-117986258-A NLRP3 inflammation corpuscle inhibitor and application thereof 药捷安康(南京)科技股份有限公司 2024-05-07 CN disclosed