SCHEMBL25820382

SCHEMBL25820382

CNC(C)CNc1c2c(cc3c1CCC3)CCC2

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 18/20 0.42
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 2/20 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
SCHEMBL19506008 0.78 NLRP3 (0.40) NLRP3ATMSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL19506009 0.77 NLRP3 (0.44) NLRP3ATMSMN1; SMN2ALDH1A1
SCHEMBL22705102 0.74 NLRP3 (0.46) NLRP3ATMSMN1; SMN2ALDH1A1
SCHEMBL19505705 0.72 NLRP3 (0.46) NLRP3ATMSMN1; SMN2ALDH1A1
SCHEMBL23691548 0.72 NLRP3 (0.44) NLRP3ATMSMN1; SMN2ALDH1A1
SCHEMBL22537903 0.71 NLRP3 (0.36) NLRP3ATMSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL25833609 0.71 NLRP3 (0.49) NLRP3ATMSMN1; SMN2ALDH1A1
SCHEMBL26590829 0.70 NLRP3 (0.45) NLRP3ATMSMN1; SMN2ALDH1A1
SCHEMBL22011174 0.69 NLRP3 (0.44) NLRP3ATMSMN1; SMN2ALDH1A1
SCHEMBL20692248 0.69 NLRP3 (0.44) NLRP3ATMSMN1; SMN2ALDH1A1

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