SCHEMBL30833961

SCHEMBL30833961

C#Cc1ccc(-c2nnc(N[C@@H]3CCCN(CCOC)C3)cc2C2CC2)c(OCOCC)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 9/20 0.42
CCNT1 O60563 2/20 0.36
CDK9 P50750 2/20 0.36
CCNK O75909 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
CDK7 P50613 1/20 0.36
CCNH P51946 1/20 0.36
MNAT1 P51948 1/20 0.36
CDK12 Q9NYV4 1/20 0.36
KAT2B Q92831 1/20 0.36
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
DRD4 P21917 1/20 0.34
DRD5 P21918 1/20 0.34
DRD3 P35462 1/20 0.34
IL1B P01584 6/20 0.33
ROCK2 O75116 3/20 0.32

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
SCHEMBL31681910 0.92 NLRP3 (0.44) NLRP3DRD2DRD1DRD4DRD5
SCHEMBL31681937 0.92 NLRP3 (0.50) NLRP3CCNT1CDK9CCNKCCNE1
SCHEMBL31681920 0.88 NLRP3 (0.41) NLRP3CCNT1CDK9CCNKCCNE1
SCHEMBL30834055 0.87 NLRP3 (0.44) NLRP3IL1B
SCHEMBL30833956 0.87 NLRP3 (0.53) NLRP3CCNT1CDK9CCNKCCNE1
SCHEMBL31681911 0.86 NLRP3 (0.41) NLRP3IL1B
SCHEMBL25294793 0.85 NLRP3 (0.42) NLRP3DRD2IL1B
SCHEMBL31681936 0.84 NLRP3 (0.43) NLRP3CCNT1CDK9IL1B
SCHEMBL25263725 0.83 NLRP3 (0.55) NLRP3IL1B
SCHEMBL25302189 0.83 NLRP3 (0.55) 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