SCHEMBL11267471

SCHEMBL11267471

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

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 12/20 0.77
▸ LMNA P02545 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ LTA4H P09960 2/20 0.52
▸ REN P00797 1/20 0.51

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
SCHEMBL11262743 1.00 ACE (0.77) ACELMNASMN1; SMN2LTA4HREN
SCHEMBL11263522 0.92 ACE (0.77) ACELMNASMN1; SMN2LTA4H
SCHEMBL11255114 0.91 ACE (0.65) ACELMNASMN1; SMN2LTA4HREN
SCHEMBL11199445 0.90 ACE (0.87) ACELMNASMN1; SMN2
SCHEMBL11204194 0.90 ACE (0.87) ACELMNASMN1; SMN2
SCHEMBL24506200 0.90 ACE (0.77) ACELMNASMN1; SMN2
SCHEMBL7324352 0.89 ACE (0.77) ACELMNASMN1; SMN2LTA4H
SCHEMBL7321061 0.89 ACE (0.77) ACELMNASMN1; SMN2LTA4H
SCHEMBL11267866 0.89 ACE (0.78) ACELMNASMN1; SMN2
SCHEMBL11262921 0.89 ACE (0.78) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0049506-A1 N-carboxyalkyl dipeptides, a process for preparing and a pharmaceutical composition comprising the same MERCK & CO. INC. (US) 1982-04-14 — — EP claimed
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