SCHEMBL7324050

SCHEMBL7324050

NCCCCCC(N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACE P12821 9/20 0.73
LMNA P02545 1/20 0.56
DPP4 P27487 2/20 0.56
DPP8 Q6V1X1 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.52
DPP7 Q9UHL4 1/20 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
SCHEMBL7322510 0.99 ACE (0.75) ACELMNADPP4DPP8SMN1; SMN2
SCHEMBL7320701 0.92 ACE (0.68) ACELMNADPP4DPP8SMN1; SMN2
SCHEMBL7266938 0.88 ACE (0.81) ACELMNASMN1; SMN2
SCHEMBL683537 0.88 ACE (0.81) ACELMNASMN1; SMN2
SCHEMBL9040814 0.88 DPP8 (0.71) ACEDPP4DPP8DPP7
SCHEMBL4955191 0.88 DPP8 (0.71) ACEDPP4DPP8DPP7
SCHEMBL683135 0.86 ACE (0.73) ACELMNASMN1; SMN2
SCHEMBL12433258 0.86 ACE (0.98) ACELMNASMN1; SMN2
SCHEMBL13852886 0.86 ACE (0.98) ACELMNASMN1; SMN2
SCHEMBL683834 0.85 ACE (0.84) ACE

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