SCHEMBL11205558

SCHEMBL11205558

COC(=O)[C@@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.87

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 14/20 0.87
▸ LMNA P02545 2/20 0.87
▸ SMN1; SMN2 Q16637 1/20 0.79
▸ ABCB11 O95342 1/20 0.60
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ USP2 O75604 1/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ ALOX15 P16050 1/20 0.58
▸ PDE3A Q14432 1/20 0.57

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
SCHEMBL11209208 1.00 ACE (0.87) ACELMNASMN1; SMN2ABCB11MEN1
SCHEMBL11203453 1.00 ACE (0.87) ACELMNASMN1; SMN2ABCB11MEN1
Enalapril SCHEMBL474012 0.93 ACE (1.00) ACELMNASMN1; SMN2ABCB11MEN1
Enalapril SCHEMBL13575793 0.93 ACE (1.00) ACELMNASMN1; SMN2ABCB11MEN1
Enalapril SCHEMBL8433334 0.93 ACE (1.00) ACELMNASMN1; SMN2ABCB11MEN1
Enalapril SCHEMBL97 0.93 ACE (1.00) ACELMNASMN1; SMN2ABCB11MEN1
Enalapril SCHEMBL18 0.93 ACE (1.00) ACELMNASMN1; SMN2ABCB11MEN1
Enalapril SCHEMBL13933092 0.93 ACE (1.00) ACELMNASMN1; SMN2ABCB11MEN1
Enalapril SCHEMBL8089096 0.93 ACE (1.00) ACELMNASMN1; SMN2ABCB11MEN1
Enalapril SCHEMBL6159149 0.93 ACE (1.00) ACELMNASMN1; SMN2ABCB11MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0079521-A1 Process for preparation of carboxyalkyldipeptide derivatives MERCK & CO. INC. (US) 1983-05-25 — — EP claimed
EP-0079521-A1 Process for preparation of carboxyalkyldipeptide derivatives MERCK & CO. INC. (US) 1983-05-25 — — EP disclosed
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