SCHEMBL7320701

SCHEMBL7320701

C[C@H](NC(CCCCCN)C(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACE P12821 11/20 0.68
LMNA P02545 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.63
DPP4 P27487 1/20 0.51
DPP8 Q6V1X1 1/20 0.51
ACE2 Q9BYF1 1/20 0.48

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
SCHEMBL7324050 0.92 ACE (0.73) ACELMNASMN1; SMN2DPP4DPP8
SCHEMBL7322510 0.91 ACE (0.75) ACELMNASMN1; SMN2DPP4DPP8
SCHEMBL6418176 0.88 ACE (0.87) ACELMNASMN1; SMN2
SCHEMBL7327110 0.88 ACE (0.74) ACELMNASMN1; SMN2ACE2
SCHEMBL7321931 0.88 ACE (0.87) ACELMNASMN1; SMN2
SCHEMBL7324483 0.87 ACE (0.62) ACELMNASMN1; SMN2ACE2
SCHEMBL7317912 0.86 ACE (0.68) ACELMNASMN1; SMN2
SCHEMBL7319770 0.86 ACE (0.68) ACELMNASMN1; SMN2
SCHEMBL7319777 0.86 ACE (0.68) ACELMNASMN1; SMN2
SCHEMBL7317388 0.86 ACE (0.68) 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