SCHEMBL25822346

SCHEMBL25822346

O=CNc1c2c(cc3c1CC3)CCC2

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 17/20 0.41
ALDH1A1 P00352 1/20 0.41
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL20635326 0.96 NLRP3 (0.42) NLRP3ALDH1A1ATMSMN1; SMN2
SCHEMBL22705175 0.76 NLRP3 (0.39) NLRP3ALDH1A1ATMSMN1; SMN2
SCHEMBL20692248 0.74 NLRP3 (0.44) NLRP3ALDH1A1ATMSMN1; SMN2
SCHEMBL22251864 0.73 NLRP3 (0.40) NLRP3ALDH1A1
SCHEMBL20681634 0.73 NLRP3 (0.51) NLRP3ALDH1A1ATMSMN1; SMN2
SCHEMBL21646639 0.73 NLRP3 (0.54) NLRP3ALDH1A1
SCHEMBL22012162 0.72 NLRP3 (0.50) NLRP3ALDH1A1ATMSMN1; SMN2
SCHEMBL22013712 0.72 NLRP3 (0.54) NLRP3ALDH1A1ATMSMN1; SMN2
SCHEMBL25842218 0.70 NLRP3 (0.45) NLRP3ALDH1A1ATMSMN1; SMN2
SCHEMBL25842031 0.70 NLRP3 (0.45) NLRP3ALDH1A1ATMSMN1; SMN2

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-3880666-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-06-28 EP disclosed