SCHEMBL7326119

SCHEMBL7326119

CCOC(=O)C(CCc1cccc2ccccc12)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 9/20 0.65
▸ LMNA P02545 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ NTMT1 Q9BV86 2/20 0.49

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
SCHEMBL7326949 0.91 ACE (0.79) ACELMNANTMT1
SCHEMBL7266938 0.89 ACE (0.81) ACELMNASMN1; SMN2
SCHEMBL683537 0.89 ACE (0.81) ACELMNASMN1; SMN2
SCHEMBL683545 0.87 ACE (0.60) ACELMNASMN1; SMN2
SCHEMBL9439053 0.86 ACE (0.76) ACELMNASMN1; SMN2
SCHEMBL683530 0.85 ACE (0.64) ACELMNASMN1; SMN2
SCHEMBL7327929 0.84 ACE (0.63) ACELMNASMN1; SMN2
SCHEMBL683135 0.84 ACE (0.73) ACELMNASMN1; SMN2
SCHEMBL683090 0.84 ACE (0.69) ACELMNASMN1; SMN2
Lisinopril Anhydrous SCHEMBL5411625 0.83 ACE (0.80) ACELMNASMN1; SMN2

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-4472380-A CARBOXYALKYL DIPEPTIDE DERIVATIVES MERCK & CO., INC. (US) 1984-09-18 — — US 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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