SCHEMBL31475665

SCHEMBL31475665

C[C@@H]1CCc2c1nc1c(c2OC(N)=O)CCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
CYP1A2 P05177 1/20 0.38
NLRP3 Q96P20 1/20 0.37
KDM4E B2RXH2 4/20 0.36
MAPT P10636 2/20 0.36
HRH3 Q9Y5N1 3/20 0.34
HRH2 P25021 2/20 0.34
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
ACHE P22303 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
USP2 O75604 1/20 0.32

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
SCHEMBL21963393 0.85 GAA (0.35) GAACYP1A2KDM4EMAPTMEN1
SCHEMBL21963178 0.81 ACHE (0.45) GAACYP1A2KDM4EMAPTMEN1
SCHEMBL22021099 0.77 NLRP3 (0.48) GAACYP1A2NLRP3KDM4EMAPT
SCHEMBL22021144 0.77 NLRP3 (0.48) GAACYP1A2NLRP3KDM4EMAPT
SCHEMBL22019742 0.74 CYP1A2 (0.36) GAACYP1A2NLRP3KDM4EMAPT
SCHEMBL24979122 0.73 ACHE (0.55) KDM4EHRH3HRH2MEN1KMT2A
SCHEMBL21962895 0.73 ACHE (0.55) KDM4EHRH3HRH2MEN1KMT2A
SCHEMBL21962929 0.73 ACHE (0.55) KDM4EHRH3HRH2MEN1KMT2A
SCHEMBL30162092 0.73 ACHE (0.55) KDM4EHRH3HRH2MEN1KMT2A
SCHEMBL30120762 0.73 ACHE (0.55) KDM4EHRH3HRH2MEN1KMT2A

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
CN-113166065-B Compounds and compositions for treating disorders associated with NLRP activity 诺华股份有限公司 2025-04-15 CN disclosed