SCHEMBL7319262

SCHEMBL7319262

CCOC(=O)[C@H](CSCc1ccc(C)cc1)NC(=O)C(CSC(C)=O)Cc1cccc2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.49
TACR1 P25103 1/20 0.45
HRH4 Q9H3N8 1/20 0.41
ELANE P08246 1/20 0.41

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
SCHEMBL7315469 0.86 ACE (0.65) ACETACR1ELANE
SCHEMBL9818006 0.80 ACE (0.75) ACEHRH4
SCHEMBL7315920 0.80 ACE (0.56) ACE
SCHEMBL7323119 0.79 ACE (0.51) ACE
SCHEMBL7444706 0.79 ACE (0.63) ACE
SCHEMBL7268097 0.77 HRH4 (0.45) ACETACR1HRH4
SCHEMBL7324519 0.77 ACE (0.61) ACE
SCHEMBL7327210 0.77 ACE (0.65) ACE
SCHEMBL7323104 0.75 ACE (0.54) ACE
SCHEMBL7325680 0.74 CYP1A2 (0.53)

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