SCHEMBL10913538

SCHEMBL10913538

CCOC(=O)C(CCc1ccccc1)NC1CCCCCN(C(C)C(=O)OC)C1=O

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 11/20 0.55
▸ ABCB11 O95342 1/20 0.54
▸ AGTR2 P50052 1/20 0.54
▸ PDE3A Q14432 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ LMNA P02545 1/20 0.49
▸ REN P00797 1/20 0.47

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
SCHEMBL10896161 0.96 ACE (0.57) ACEABCB11AGTR2PDE3ATDP1
SCHEMBL10793285 0.95 ACE (0.57) ACEABCB11AGTR2PDE3ATDP1
SCHEMBL10798072 0.95 ACE (0.57) ACEABCB11AGTR2PDE3ATDP1
SCHEMBL10793279 0.95 ACE (0.57) ACEABCB11AGTR2PDE3ATDP1
SCHEMBL10793326 0.95 ACE (0.57) ACEABCB11AGTR2PDE3ATDP1
SCHEMBL10914216 0.94 ACE (0.59) ACEABCB11AGTR2PDE3ATDP1
SCHEMBL10894022 0.94 ACE (0.59) ACEABCB11AGTR2PDE3ATDP1
SCHEMBL10791439 0.93 ACE (0.58) ACEABCB11AGTR2PDE3ATDP1
SCHEMBL10796387 0.93 ACE (0.58) ACEABCB11AGTR2PDE3ATDP1
SCHEMBL10791449 0.93 ACE (0.58) ACEABCB11AGTR2PDE3ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4587050-A Substituted enantholactam derivatives as antihypertensives MERCK & CO., INC. (US) 1986-05-06 — — US disclosed
EP-0046289-B1 SUBSTITUTED ENANTHOLACTAM DERIVATIVES AS ANTIHYPERTENSIVES, A PROCESS FOR PREPARING AND A PHARMACEUTICAL COMPOSITION CONTAINING THEM, AND INTERMEDIATES MERCK & CO. INC. (US) 1985-11-27 — — EP disclosed
EP-0046289-A2 Substituted enantholactam derivatives as antihypertensives, a process for preparing and a pharmaceutical composition containing them, and intermediates MERCK & CO. INC. (US) 1982-02-24 — — EP disclosed
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