SCHEMBL22705102

SCHEMBL22705102

CCNc1c2c(cc3c1CCC3)CCC2

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 15/20 0.46
ALDH1A1 P00352 1/20 0.42
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 1/20 0.37

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
SCHEMBL23691548 0.96 NLRP3 (0.44) NLRP3ALDH1A1ATMSMN1; SMN2MAPT
SCHEMBL19506009 0.82 NLRP3 (0.44) NLRP3ALDH1A1ATMSMN1; SMN2MAPT
SCHEMBL25833609 0.79 NLRP3 (0.49) NLRP3ALDH1A1ATMSMN1; SMN2
SCHEMBL19505705 0.76 NLRP3 (0.46) NLRP3ALDH1A1ATMSMN1; SMN2
SCHEMBL25820382 0.74 NLRP3 (0.42) NLRP3ALDH1A1ATMSMN1; SMN2
SCHEMBL26590829 0.74 NLRP3 (0.45) NLRP3ALDH1A1ATMSMN1; SMN2
SCHEMBL24130016 0.73 NLRP3 (0.51) NLRP3ALDH1A1ATMSMN1; SMN2
SCHEMBL22011174 0.72 NLRP3 (0.44) NLRP3ALDH1A1ATMSMN1; SMN2
SCHEMBL20692248 0.72 NLRP3 (0.44) NLRP3ALDH1A1ATMSMN1; SMN2
SCHEMBL22251965 0.72 MAPT (0.53) NLRP3ALDH1A1ATMSMN1; SMN2MAPT

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-3880666-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-06-28 EP disclosed
EP-3445757-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RES INC (US) 2020-11-25 EP disclosed