SCHEMBL30833899

SCHEMBL30833899

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

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 7/20 0.38
KCNH2 Q12809 1/20 0.35
IL1B P01584 6/20 0.33
HTR1A P08908 3/20 0.33
TNF P01375 1/20 0.33
CD274 Q9NZQ7 2/20 0.30
CNR1 P21554 1/20 0.30
PDCD1 Q15116 1/20 0.30

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
SCHEMBL30833934 1.00 NLRP3 (0.38) NLRP3KCNH2IL1BHTR1ATNF
SCHEMBL30833850 0.90 NLRP3 (0.39) NLRP3KCNH2IL1BHTR1ATNF
SCHEMBL30833952 0.84 NLRP3 (0.38) NLRP3KCNH2IL1BHTR1ATNF
SCHEMBL30833929 0.83 NLRP3 (0.48) NLRP3KCNH2IL1BTNF
SCHEMBL30833942 0.83 NLRP3 (0.48) NLRP3KCNH2IL1BTNF
SCHEMBL30834017 0.83 NLRP3 (0.36) NLRP3IL1BTNF
SCHEMBL30834000 0.81 NLRP3 (0.42) NLRP3IL1B
SCHEMBL25857924 0.81 CACNA2D1 (0.32) NLRP3
SCHEMBL25299193 0.81 IL1B (0.54) NLRP3IL1B
Iodide SCHEMBL31681896 0.81 NLRP3 (0.40) NLRP3IL1BTNF

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