SCHEMBL7338396

SCHEMBL7338396

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

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.71
MME P08473 3/20 0.71
HRH4 Q9H3N8 1/20 0.57
OPRM1 P35372 6/20 0.51
OPRD1 P41143 4/20 0.51
TACR1 P25103 1/20 0.46

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
SCHEMBL7338418 1.00 ACE (0.71) ACEMMEHRH4OPRM1OPRD1
SCHEMBL7338402 1.00 ACE (0.71) ACEMMEHRH4OPRM1OPRD1
SCHEMBL7443809 1.00 ACE (0.71) ACEMMEHRH4OPRM1OPRD1
SCHEMBL7387663 0.90 ACE (0.69) ACEMMEHRH4OPRM1OPRD1
SCHEMBL7450646 0.88 HRH4 (0.57) ACEMMEHRH4OPRM1OPRD1
SCHEMBL7450649 0.88 HRH4 (0.57) ACEMMEHRH4OPRM1OPRD1
SCHEMBL7349703 0.85 ACE (0.68) ACEMMEHRH4OPRM1OPRD1
SCHEMBL7349696 0.85 ACE (0.68) ACEMMEHRH4OPRM1OPRD1
SCHEMBL7449059 0.85 ACE (0.68) ACEMMEHRH4OPRM1OPRD1
SCHEMBL7349691 0.85 ACE (0.68) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5859239-A Mercaptoalkanoylamino and acylmercaptoalkanoylamino benzoxazepines and benzothiazepines E. R. SQUIBB & SONS, INC. (US) 1999-01-12 US disclosed
US-5856476-A Processes for preparing azepiones useful as intermediates in the preparation of inhibitors of angiotensin converting enzyme and neutral endopeptidase E. R. SQUIBBS & SONS, INC. (US) 1999-01-05 US disclosed
US-5856477-A HYPOTENSIVE AGENTS; CONGESTIVE HEART FAILURE E. R. SQUIBB & SONS, INC. (US) 1999-01-05 US disclosed
US-5723602-A ANGIOTENSIN CONVERTING ENZYME AND ENDOPEPTIDASE INHIBITORS, CARDIOVASCULAR DISORDERS E. R. SQUIBB & SONS, INC. (US) 1998-03-03 US disclosed
US-5723457-A COMPOUMDS FOR CARDIOVASCULAR DISORDERS AND INHIBITORS OF ANGIOTENSIN CONVERTING ENZYMES E. R. SQUIBB & SONS, INC. (US) 1998-03-03 US disclosed
EP-0599444-B1 Dual action inhibitors SQUIBB & SONS INC (US) 1998-01-28 EP disclosed
US-5654294-A CARDIOVASCULAR DISORDERS BRISTOL-MYERS SQUIBB (US) 1997-08-05 US 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
EP-0599444-A1 Dual action inhibitors E.R. SQUIBB & SONS, INC. (US) 1994-06-01 EP disclosed