SCHEMBL10944494

SCHEMBL10944494

O=C(O)CCNC(=O)[C@H](Cc1ccccc1)NC(CSCc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 3/20 0.50
▸ MME P08473 1/20 0.50
▸ MMEL1 Q495T6 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
SCHEMBL391211 0.87 ACE (0.59) ACEMMEMMEL1
SCHEMBL5603448 0.87 ACE (0.59) ACEMMEMMEL1
SCHEMBL650610 0.87 ACE (0.59) ACEMMEMMEL1
SCHEMBL7380315 0.83 MMEL1 (0.64) ACEMMEMMEL1
SCHEMBL7385743 0.83 MMEL1 (0.64) ACEMMEMMEL1
SCHEMBL7385019 0.81 MME (0.64) ACEMMEMMEL1
Water SCHEMBL10949495 0.81 MME (0.62) ACEMMEMMEL1
SCHEMBL11296564 0.80 ATM (0.52) ACEMME
SCHEMBL9068701 0.78 FOLH1 (0.52) —
SCHEMBL7375696 0.77 ACE (0.53) ACEMMEMMEL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0054862-B1 SUBSTITUTED DIPEPTIDES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN THE INHIBITION OF ENKEPHALINASE SCHERING CORPORATION (US) 1985-11-27 — — EP claimed
EP-0054862-A1 Substituted dipeptides, processes for their preparation and pharmaceutical compositions containing them and their use in the inhibition of enkephalinase SCHERING CORPORATION (US) 1982-06-30 — — EP claimed
EP-0054862-A1 Substituted dipeptides, processes for their preparation and pharmaceutical compositions containing them and their use in the inhibition of enkephalinase SCHERING CORPORATION (US) 1982-06-30 — — EP disclosed
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