SCHEMBL7332314

SCHEMBL7332314

NCCCC[C@H](NC(CCc1c[nH]c2ccccc12)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 5/20 0.72
▸ CYP2C19 P33261 1/20 0.48
▸ DPP3 Q9NY33 2/20 0.47
▸ BCHE P06276 1/20 0.46
▸ NTSR2 O95665 1/20 0.45
▸ NTSR1 P30989 1/20 0.45
▸ SORT1 Q99523 1/20 0.45
▸ DPP4 P27487 1/20 0.43
▸ LMNA P02545 1/20 0.42

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
SCHEMBL683539 1.00 ACE (0.72) ACECYP2C19DPP3BCHENTSR2
SCHEMBL7332773 0.93 ACE (0.66) ACECYP2C19DPP3BCHENTSR2
SCHEMBL683545 0.91 ACE (0.60) ACECYP2C19DPP3BCHELMNA
SCHEMBL11256646 0.89 ACE (0.56) ACECYP2C19DPP3BCHEDPP4
SCHEMBL10781418 0.86 ACE (0.64) ACECYP2C19DPP3BCHENTSR2
SCHEMBL7326949 0.86 ACE (0.79) ACELMNA
SCHEMBL7321737 0.85 ACE (0.70) ACECYP2C19DPP3BCHELMNA
SCHEMBL11254282 0.85 ACE (0.51) ACECYP2C19DPP3BCHELMNA
Lisinopril Anhydrous SCHEMBL24062681 0.84 ACE (1.00) ACELMNA
Lisinopril Anhydrous SCHEMBL15680 0.84 ACE (1.00) ACELMNA

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0463636-A2 Cardiovascular composition MERCK FROSST CANADA INC. (CA) 1992-01-02 — — EP claimed
EP-0129136-B1 ANTIHYPERTENSIVE COMPOSITION MERCK & CO. INC. (US) 1991-10-30 — — EP claimed
EP-0168769-A2 Process for preparing carboxyalkyl dipeptides MERCK & CO. INC. (US) 1986-01-22 — — EP claimed
EP-0166257-A2 Cardiovascular composition MERCK FROSST CANADA INC. (CA) 1986-01-02 — — EP claimed
EP-0129136-A2 Antihypertensive composition MERCK & CO. INC. (US) 1984-12-27 — — EP claimed
US-4472384-A INTERPHENYLENE 9-THIA-11-OXO-12-AZA PROSTANOIC ACID DERIVATIVE AND CARBOXYALKYLDIPEPTIDE MERCK & CO., INC. (US) 1984-09-18 — — US claimed
EP-0079521-A1 Process for preparation of carboxyalkyldipeptide derivatives MERCK & CO. INC. (US) 1983-05-25 — — EP claimed
US-4374829-A Aminoacid derivatives as antihypertensives MERCK & CO., INC. (US) 1983-02-22 — — US claimed
EP-0012401-A1 Carboxyalkyl dipeptide derivatives, process for preparing them and pharmaceutical composition containing them MERCK & CO. INC. (US) 1980-06-25 — — EP claimed
US-5081145-A Contractile prostaglandin antagonists MERCK FROSST CANADA, INC. (CA) 1992-01-14 — — US disclosed
EP-0463636-A2 Cardiovascular composition MERCK FROSST CANADA INC. (CA) 1992-01-02 — — EP disclosed
EP-0129136-B1 ANTIHYPERTENSIVE COMPOSITION MERCK & CO. INC. (US) 1991-10-30 — — EP disclosed
EP-0166591-B1 INDOLE-2-ALKANOIC ACIDS AND THEIR USE AS PROSTAGLANDIN ANTAGONISTS MERCK FROSST CANADA INC. (CA) 1989-11-23 — — EP disclosed
US-4663307-A Anti-allergic and anti-thromboembolic 6H-dibenz-[b,e][1,4]-oxathiepin derivatives, compositions, and method of use therefor MERCK FROSST CANADA, INC. (CA) 1987-05-05 — — US disclosed
EP-0129136-A2 Antihypertensive composition MERCK & CO. INC. (US) 1984-12-27 — — EP disclosed
US-4472384-A INTERPHENYLENE 9-THIA-11-OXO-12-AZA PROSTANOIC ACID DERIVATIVE AND CARBOXYALKYLDIPEPTIDE MERCK & CO., INC. (US) 1984-09-18 — — US disclosed
US-4472380-A CARBOXYALKYL DIPEPTIDE DERIVATIVES MERCK & CO., INC. (US) 1984-09-18 — — US disclosed
EP-0079521-A1 Process for preparation of carboxyalkyldipeptide derivatives MERCK & CO. INC. (US) 1983-05-25 — — EP disclosed
US-4374829-A Aminoacid derivatives as antihypertensives MERCK & CO., INC. (US) 1983-02-22 — — US disclosed
EP-0012401-A1 Carboxyalkyl dipeptide derivatives, process for preparing them and pharmaceutical composition containing them MERCK & CO. INC. (US) 1980-06-25 — — EP disclosed
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