SCHEMBL7344268

SCHEMBL7344268

O=C(O)[C@@H]1CCN2C(=O)CC[C@H](N3C(=O)c4ccccc4C3=O)C(=O)N12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.49
MME P08473 2/20 0.49
CRBN Q96SW2 8/20 0.43
DDB1 Q16531 7/20 0.43
IKZF3 Q9UKT9 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CHRM2 P08172 1/20 0.43
OPRM1 P35372 1/20 0.43
CYP1A2 P05177 1/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAP1LC3B Q9GZQ8 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.35
TNF P01375 1/20 0.34
IL1B P01584 1/20 0.34
TBXA2R P21731 1/20 0.34
IKZF1 Q13422 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL7344257 1.00 ACE (0.49) ACEMMECRBNDDB1IKZF3
SCHEMBL11205197 1.00 ACE (0.49) ACEMMECRBNDDB1IKZF3
SCHEMBL10565078 1.00 ACE (0.49) ACEMMECRBNDDB1IKZF3
SCHEMBL5154587 0.93 ACE (0.51) ACEMMECRBNDDB1IKZF3
SCHEMBL5154520 0.93 ACE (0.51) ACEMMECRBNDDB1IKZF3
SCHEMBL5154165 0.93 ACE (0.51) ACEMMECRBNDDB1IKZF3
SCHEMBL5154528 0.93 ACE (0.51) ACEMMECRBNDDB1IKZF3
SCHEMBL5158143 0.93 ACE (0.51) ACEMMECRBNDDB1IKZF3
SCHEMBL10566783 0.83 DDB1 (0.38) ACEMMECRBNDDB1IKZF3
SCHEMBL10566940 0.83 DDB1 (0.38) ACEMMECRBNDDB1IKZF3

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
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
EP-0599444-A1 Dual action inhibitors E.R. SQUIBB & SONS, INC. (US) 1994-06-01 EP disclosed
US-4808713-A Anthypertensive pyridazo [1,2-a][1,2]diazepines HOFFMAN-LA ROCHE INC. (US) 1989-02-28 US disclosed
US-4772701-A Pyridazo[1,2]pyridazines and pyrazolo[1,2]pyridazines as antihypertensives HOFFMANN-LA ROCHE INC. (US) 1988-09-20 US disclosed
US-4658024-A Pyrazolo [1,2-a][1,2]-diazepines useful as antihypertensives HOFFMANN-LA ROCHE INC. (US) 1987-04-14 US disclosed
US-4512924-A HYPOTENSIVE AGENTS HOFFMANN-LA ROCHE INC. (US) 1985-04-23 US disclosed
EP-0094095-A2 Bicyclic carboxylic acids and their alkyl and aralkyl esters F. HOFFMANN-LA ROCHE AG (CH) 1983-11-16 EP disclosed