SCHEMBL30833972

SCHEMBL30833972

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

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 12/20 0.48
KCNH2 Q12809 1/20 0.48
IL1B P01584 7/20 0.44
TNF P01375 2/20 0.42
CHRM1 P11229 1/20 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
SCHEMBL30833929 0.88 NLRP3 (0.48) NLRP3KCNH2IL1BTNFCHRM1
SCHEMBL30833942 0.88 NLRP3 (0.48) NLRP3KCNH2IL1BTNFCHRM1
SCHEMBL30833850 0.83 NLRP3 (0.39) NLRP3KCNH2IL1BTNF
SCHEMBL25855249 0.80 NLRP3 (0.52) NLRP3KCNH2IL1BTNF
SCHEMBL30833946 0.78 NLRP3 (0.55) NLRP3IL1BTNF
SCHEMBL25856518 0.78 NLRP3 (0.50) NLRP3IL1BTNFCHRM1
SCHEMBL25855087 0.78 NLRP3 (0.49) NLRP3KCNH2IL1BTNF
SCHEMBL25859574 0.78 NLRP3 (0.43) NLRP3IL1BTNFCHRM1
SCHEMBL25301833 0.78 IL1B (0.74) NLRP3IL1B
SCHEMBL31130661 0.78 NLRP3 (0.43) NLRP3KCNH2IL1BTNF

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