SCHEMBL7315469

SCHEMBL7315469

CCOC(=O)[C@H](CSCc1ccc(C)cc1)NC(=O)C(CSC(C)=O)Cc1ccc2ccccc2c1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.65
TACR1 P25103 1/20 0.46
ELANE P08246 1/20 0.42

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
SCHEMBL7319262 0.86 ACE (0.49) ACETACR1ELANE
SCHEMBL7315920 0.83 ACE (0.56) ACE
SCHEMBL7323119 0.83 ACE (0.51) ACE
SCHEMBL7327210 0.82 ACE (0.65) ACE
SCHEMBL7444706 0.80 ACE (0.63) ACE
SCHEMBL7327419 0.79 ACE (1.00) ACE
SCHEMBL7324519 0.78 ACE (0.61) ACE
SCHEMBL7323104 0.78 ACE (0.54) ACE
SCHEMBL7325680 0.77 CYP1A2 (0.53)
SCHEMBL7319401 0.77 ACE (0.68) ACE

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
US-5262436-A Administering; enzyme inhibitor SCHERING CORPORATION (US) 1993-11-16 US disclosed
EP-0566157-A1 Neutral metalloendopeptidase inhibitors in the treatment of hypertension SCHERING CORPORATION (US) 1993-10-20 EP disclosed
US-5061710-A Atrial natriuretic factors SCHERING CORPORATION (US) 1991-10-29 US disclosed
US-4929641-A DIURETICS, ANGIOTENSIN CONVERTING ENZYMES SCHERING CORPORATION (US) 1990-05-29 US disclosed
US-4801609-A Mercapto-acylamino acid antihypertensives SCHERING CORPORATION (US) 1989-01-31 US disclosed
EP-0254032-A2 Neutral metalloendopeptidase inhibitors in the treatment of hypertension SCHERING CORPORATION (US) 1988-01-27 EP disclosed