SCHEMBL31681900

SCHEMBL31681900

Cc1cc(N[C@@H]2CCCNC2)nnc1-c1ccc(C#CC(F)(F)F)cc1O

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 10/20 0.54
IL1B P01584 12/20 0.50
TNF P01375 1/20 0.46
PIM1 P11309 1/20 0.39

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
SCHEMBL30833946 0.86 NLRP3 (0.55) NLRP3IL1BTNF
SCHEMBL31057144 0.84 IL1B (0.68) NLRP3IL1BTNFPIM1
Hydrochloric Acid SCHEMBL31057159 0.83 IL1B (0.67) NLRP3IL1BTNFPIM1
SCHEMBL29307453 0.83 IL1B (0.59) NLRP3IL1BTNFPIM1
SCHEMBL31681895 0.83 NLRP3 (0.73) NLRP3IL1B
SCHEMBL31681927 0.81 IL1B (0.70) NLRP3IL1BTNF
SCHEMBL24575705 0.80 NLRP3 (0.67) NLRP3IL1BTNF
SCHEMBL30833869 0.78 IL1B (0.51) NLRP3IL1BTNFPIM1
SCHEMBL30834025 0.78 IL1B (0.51) NLRP3IL1BTNFPIM1
SCHEMBL31681932 0.74 NLRP3 (0.66) 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 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