SCHEMBL30833952

SCHEMBL30833952

CCOCOc1cc(C=O)ccc1-c1nnc(N[C@@H]2CCCC[C@H]2O)cc1C

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 7/20 0.38
KCNH2 Q12809 1/20 0.35
IL1B P01584 5/20 0.35
TNF P01375 1/20 0.35
HTR1A P08908 3/20 0.33
ALDH1A1 P00352 1/20 0.32
CHRM1 P11229 1/20 0.31
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL30833850 0.85 NLRP3 (0.39) NLRP3KCNH2IL1BTNFHTR1A
SCHEMBL30833899 0.84 NLRP3 (0.38) NLRP3KCNH2IL1BTNFHTR1A
SCHEMBL30833934 0.84 NLRP3 (0.38) NLRP3KCNH2IL1BTNFHTR1A
SCHEMBL30488542 0.82 IL1B (0.52) NLRP3IL1BTNFALDH1A1
SCHEMBL25256063 0.82 IL1B (0.52) NLRP3IL1BTNFALDH1A1
SCHEMBL25302741 0.81 NLRP3 (0.42) NLRP3IL1B
SCHEMBL30488544 0.81 NLRP3 (0.42) NLRP3IL1B
SCHEMBL25302745 0.81 NLRP3 (0.42) NLRP3IL1B
SCHEMBL30488564 0.81 NLRP3 (0.42) NLRP3IL1B
SCHEMBL25859689 0.81 ALDH1A1 (0.37) NLRP3ALDH1A1

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