SCHEMBL7408382

SCHEMBL7408382

CN(CC(=O)[C@@H](N)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 15/20 0.65
▸ ACE2 Q9BYF1 6/20 0.49
▸ DPP4 P27487 2/20 0.49
▸ DPP8 Q6V1X1 2/20 0.49
▸ DPP9 Q86TI2 2/20 0.49
▸ DPP7 Q9UHL4 2/20 0.49
▸ FAP Q12884 1/20 0.49
▸ LTA4H P09960 2/20 0.48

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
SCHEMBL10459532 1.00 ACE (0.65) ACEACE2DPP4DPP8DPP9
SCHEMBL9791962 0.84 ACE (0.59) ACEACE2
SCHEMBL7468516 0.83 ACE (0.59) ACEACE2
SCHEMBL7408089 0.83 ACE (0.59) ACEACE2
SCHEMBL10847107 0.82 ACE (0.72) ACEACE2
SCHEMBL10664899 0.82 ACE (0.72) ACEACE2
SCHEMBL9791943 0.81 ACE (0.56) ACEACE2
SCHEMBL9791947 0.81 ACE (0.56) ACEACE2
SCHEMBL11119589 0.81 ACE (0.68) ACEACE2LTA4H
SCHEMBL11119585 0.81 ACE (0.68) ACEACE2LTA4H

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5013861-A Chemical intermediates for hypotensive agents, inhibitors of angiotensin converting enzyme E. R. SQUIBB & SONS, INC. (US) 1991-05-07 — — US disclosed
US-H725-H Ureido amino and imino acids, compositions and methods for use E. R. SQUIBB & SONS, INC. (US) 1990-01-02 — — US disclosed
US-4818757-A HYPOTENSIVE AGENTS, ANALGESICS E. R. SQUIBB & SONS, INC. (US) 1989-04-04 — — US disclosed
US-4810791-A ANGIOTENSIN CONVERTING ENZYME AND ENKEPHALINASE INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1989-03-07 — — US disclosed
US-4740508-A HYPOTENSIVE AGENTS, ANALGESICS E. R. SQUIBB & SONS, INC. (US) 1988-04-26 — — US disclosed
US-4638010-A HYPOTENSIVE, ENZYME INHIBITORS, ANALGESICS E. R. SQUIBB & SONS, INC. (US) 1987-01-20 — — US disclosed
EP-0202776-A1 Ureidoalkanoylaminocarbonyl amino and imino acids and esters E.R. Squibb & Sons, Inc. (US) 1986-11-26 — — EP disclosed
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