SCHEMBL31427469

SCHEMBL31427469

CN(C(=O)OC(C)(C)C)c1ccccc1[C@@H]1CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.45
TMEM97 Q5BJF2 7/20 0.45
PREP P48147 3/20 0.45
ACE2 Q9BYF1 1/20 0.44
AADAT Q8N5Z0 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL28946627 0.87 SIGMAR1 (0.50) SIGMAR1TMEM97PREPACE2AADAT
SCHEMBL28946629 0.87 SIGMAR1 (0.50) SIGMAR1TMEM97PREPACE2AADAT
SCHEMBL28946616 0.85 RIPK1 (0.44)
SCHEMBL3086246 0.80 SIGMAR1 (0.53) SIGMAR1PREPACE2NPSR1
SCHEMBL3086244 0.80 SIGMAR1 (0.53) SIGMAR1PREPACE2NPSR1
SCHEMBL3086248 0.80 SIGMAR1 (0.53) SIGMAR1PREPACE2NPSR1
SCHEMBL28964197 0.79 TSHR (0.52) SIGMAR1TMEM97PREPACE2AADAT
SCHEMBL28964198 0.79 TSHR (0.52) SIGMAR1TMEM97PREPACE2AADAT
SCHEMBL34474623 0.79 PREP (0.47) SIGMAR1PREPACE2NPSR1
SCHEMBL30511005 0.79 PREP (0.47) SIGMAR1PREPACE2NPSR1

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-115490708-B Sulfonamide macrocyclic derivative, preparation method and application thereof 苏州亚盛药业有限公司 2025-01-24 CN disclosed