SCHEMBL7344553

SCHEMBL7344553

NC1CSC[C@@H](c2ccccc2)N(CC(=O)O)C1=O

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.36
MITF O75030 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
RIPK1 Q13546 2/20 0.35

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
SCHEMBL7344546 1.00 SIGMAR1 (0.36) SIGMAR1MITFKMT2ATDP1RIPK1
SCHEMBL9526268 0.83 PLA2G10 (0.44) SIGMAR1RIPK1
SCHEMBL9526266 0.83 PLA2G10 (0.44) SIGMAR1RIPK1
SCHEMBL7424298 0.81 CYP2C9 (0.41)
SCHEMBL7430706 0.81 CYP2C9 (0.41)
SCHEMBL7349416 0.81 CYP2C9 (0.41)
SCHEMBL7349406 0.81 CYP2C9 (0.41)
SCHEMBL7424303 0.81 CYP2C9 (0.41)
SCHEMBL3240278 0.79 RIPK1 (0.41) SIGMAR1RIPK1
SCHEMBL10431513 0.76 CHRM2 (0.39) SIGMAR1MITFKMT2ATDP1RIPK1

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 11 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
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
EP-0599444-A1 Dual action inhibitors E.R. SQUIBB & SONS, INC. (US) 1994-06-01 EP disclosed