SCHEMBL31681920

SCHEMBL31681920

CCOCOc1cc(C=O)ccc1-c1nnc(N[C@@H]2CCCN(CCOC)C2)cc1C1CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 12/20 0.41
KAT2B Q92831 1/20 0.37
CCNT1 O60563 2/20 0.35
CDK9 P50750 2/20 0.35
CCNK O75909 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
CDK7 P50613 1/20 0.35
CCNH P51946 1/20 0.35
MNAT1 P51948 1/20 0.35
CDK12 Q9NYV4 1/20 0.35
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
DRD4 P21917 1/20 0.33
DRD5 P21918 1/20 0.33
DRD3 P35462 1/20 0.33
IL1B P01584 6/20 0.33

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
SCHEMBL31681903 0.92 NLRP3 (0.43) NLRP3DRD2DRD1DRD4DRD5
SCHEMBL29030512 0.90 NLRP3 (0.46) NLRP3IL1B
SCHEMBL30488553 0.90 NLRP3 (0.46) NLRP3IL1B
SCHEMBL25859471 0.90 NLRP3 (0.46) NLRP3IL1B
SCHEMBL30833980 0.88 NLRP3 (0.44) NLRP3IL1B
SCHEMBL30833961 0.88 NLRP3 (0.42) NLRP3KAT2BCCNT1CDK9CCNK
SCHEMBL25259280 0.86 NLRP3 (0.40) NLRP3DRD2IL1B
SCHEMBL25262624 0.83 NLRP3 (0.52) NLRP3IL1B
SCHEMBL30488467 0.83 NLRP3 (0.52) NLRP3IL1B
SCHEMBL25303102 0.83 NLRP3 (0.52) 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 1 patent. 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