SCHEMBL7321736

SCHEMBL7321736

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

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 12/20 0.76
▸ LMNA P02545 1/20 0.62
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ LTA4H P09960 1/20 0.50

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
SCHEMBL7321061 0.90 ACE (0.77) ACELMNASMN1; SMN2LTA4H
SCHEMBL7324352 0.90 ACE (0.77) ACELMNASMN1; SMN2LTA4H
SCHEMBL7325642 0.89 ACE (0.76) ACELMNASMN1; SMN2LTA4H
SCHEMBL7333973 0.89 ACE (0.81) ACELMNASMN1; SMN2LTA4H
SCHEMBL24506200 0.88 ACE (0.77) ACELMNASMN1; SMN2
SCHEMBL11204194 0.88 ACE (0.87) ACELMNASMN1; SMN2
SCHEMBL11262743 0.88 ACE (0.77) ACELMNASMN1; SMN2LTA4H
SCHEMBL11199445 0.88 ACE (0.87) ACELMNASMN1; SMN2
SCHEMBL11267471 0.88 ACE (0.77) ACELMNASMN1; SMN2LTA4H
SCHEMBL11258916 0.88 ACE (0.75) ACELMNASMN1; SMN2LTA4H

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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