SCHEMBL7349696

SCHEMBL7349696

CC(=O)SC[C@@H](Cc1ccccc1)C(=O)N[C@H]1Cc2ccccc2CN(CC(=O)O)C1=O

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.68
MME P08473 5/20 0.68
HRH4 Q9H3N8 1/20 0.56
OPRM1 P35372 4/20 0.49
OPRD1 P41143 3/20 0.49

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
SCHEMBL7449059 1.00 ACE (0.68) ACEMMEHRH4OPRM1OPRD1
SCHEMBL7349691 1.00 ACE (0.68) ACEMMEHRH4OPRM1OPRD1
SCHEMBL7349703 1.00 ACE (0.68) ACEMMEHRH4OPRM1OPRD1
SCHEMBL7445121 0.88 ACE (0.63) ACEMMEHRH4OPRM1OPRD1
SCHEMBL7445113 0.88 ACE (0.63) ACEMMEHRH4OPRM1OPRD1
SCHEMBL7344775 0.86 ACE (0.79) ACEMMEHRH4OPRM1OPRD1
SCHEMBL7344771 0.86 ACE (0.79) ACEMMEHRH4OPRM1OPRD1
SCHEMBL7444221 0.86 ACE (0.79) ACEMMEHRH4OPRM1OPRD1
SCHEMBL7344781 0.86 ACE (0.79) ACEMMEHRH4OPRM1OPRD1
SCHEMBL7443809 0.85 ACE (0.71) ACEMMEHRH4OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0599444-B1 Dual action inhibitors SQUIBB & SONS INC (US) 1998-01-28 EP disclosed
EP-0783002-A2 Dual action inhibitors E.R. SQUIBB & SONS, INC. (US) 1997-07-09 EP disclosed
US-5646276-A ANGIOTENSIN CONVERTING ENZYME AND NEUTRAL ENDOPEPTIDASE INHIBITORS; CARDIOVASCULAR DISORDERS BRISTOL-MYERS SQUIBB CO. (US) 1997-07-08 US disclosed
US-5552397-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1996-09-03 US disclosed
WO-1994026719-A1 MERCAPTO-AMIDE DERIVATIVES USEFUL AS NEUTRAL ENDOPEPTIDASE AND ACE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-24 WO disclosed
EP-0599444-A1 Dual action inhibitors E.R. SQUIBB & SONS, INC. (US) 1994-06-01 EP disclosed