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Sugi Predict / Compounds / SCHEMBL27643156

SCHEMBL27643156

SCHEMBL27643156

C[C@H](NC(=O)OC(C)(C)C)C(=O)N1c2ccccc2C[C@H]1C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.53
▸ MME P08473 1/20 0.53
▸ CTSL P07711 1/20 0.52
▸ XIAP P98170 1/20 0.47

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
SCHEMBL13895644 1.00 ACE (0.53) ACEMMECTSLXIAP
SCHEMBL5917460 0.87 ACE (0.49) ACEMMEXIAP
SCHEMBL5837686 0.87 ACE (0.49) ACEMMEXIAP
SCHEMBL5377148 0.85 ACE (0.60) ACEMME
SCHEMBL10842684 0.84 ACE (0.53) ACECTSL
SCHEMBL8834681 0.83 KLK5 (0.51) ACECTSL
SCHEMBL5350591 0.82 CTSL (0.52) ACECTSL
SCHEMBL16466358 0.80 XIAP (0.52) ACEXIAP
SCHEMBL16466356 0.80 XIAP (0.52) ACEXIAP
SCHEMBL9699149 0.79 PREP (0.61) ACECTSL

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
CN-100469787-C Method for the synthesis of derivatives of (2S,3AS,7AS)-1-[(S)-alanyl]-octahydro-1H-indole-2-carboxylic acid and use thereof for the synthesis of perindopril SERVIER LAB (FR) 2009-03-18 — — CN disclosed
CN-1890259-A Process for the synthesis of (2S,3AS,7AS) -1- [ (S) -1-alanyl ] -octahydro-1H-indole-2-carboxylic acid derivatives and their use for the synthesis of perindopril SERVIER LAB (FR) 2007-01-03 — — CN disclosed