SCHEMBL7345149

SCHEMBL7345149

CN1C(=O)CC[C@H](N2C(=O)c3ccccc3C2=O)C(=O)N1CC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.51
ACE P12821 2/20 0.51
DDB1 Q16531 8/20 0.44
CRBN Q96SW2 8/20 0.44
ALDH1A1 P00352 1/20 0.44
CHRM2 P08172 1/20 0.44
OPRM1 P35372 1/20 0.44
IKZF3 Q9UKT9 1/20 0.44
CYP1A2 P05177 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
MAP1LC3B Q9GZQ8 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL7351895 0.81 ACE (0.50) MMEACEDDB1CRBNALDH1A1
SCHEMBL8802287 0.81 ACE (0.50) MMEACEDDB1CRBNALDH1A1
SCHEMBL845548 0.77 CRBN (0.54) DDB1CRBNALDH1A1CHRM2OPRM1
Glycine SCHEMBL4929867 0.75 DDB1 (0.41) DDB1CRBNALDH1A1CHRM2OPRM1
Bromoacetic Acid SCHEMBL4940372 0.75 DDB1 (0.41) DDB1CRBNALDH1A1CHRM2OPRM1
SCHEMBL6159133 0.75 L3MBTL1 (0.46) DDB1CRBNALDH1A1CHRM2OPRM1
SCHEMBL13364982 0.74 CRBN (0.54) DDB1CRBNALDH1A1CHRM2OPRM1
SCHEMBL4937361 0.74 DDB1 (0.38) DDB1CRBNALDH1A1CHRM2OPRM1
SCHEMBL4929916 0.74 CRBN (0.48) DDB1CRBNALDH1A1CHRM2OPRM1
SCHEMBL8863172 0.73 CA12 (0.44) MMEACEALDH1A1CYP1A2CA12

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