SCHEMBL7087534

SCHEMBL7087534

N[C@@H](CSCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACE P12821 8/20 0.55
LTA4H P09960 5/20 0.52
DPP4 P27487 2/20 0.50
DPP8 Q6V1X1 2/20 0.50
DPP9 Q86TI2 2/20 0.50
DPP7 Q9UHL4 2/20 0.50
FAP Q12884 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
SCHEMBL11545273 0.86 ACE (0.57) ACELTA4H
SCHEMBL4330942 0.84 ACE (0.70) ACELTA4HDPP4DPP8DPP9
SCHEMBL5900809 0.84 ACE (0.70) ACELTA4HDPP4DPP8DPP9
SCHEMBL6436643 0.84 ACE (0.70) ACELTA4HDPP4DPP8DPP9
SCHEMBL3726264 0.84 ACE (0.70) ACELTA4HDPP4DPP8DPP9
SCHEMBL29666849 0.84 ACE (0.70) ACELTA4HDPP4DPP8DPP9
SCHEMBL31026624 0.84 ACE (0.70) ACELTA4HDPP4DPP8DPP9
SCHEMBL7375090 0.84 ACE (0.70) ACELTA4HDPP4DPP8DPP9
SCHEMBL3726263 0.84 ACE (0.70) ACELTA4HDPP4DPP8DPP9
SCHEMBL6373910 0.83 ACE (0.69) ACELTA4HDPP4DPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003075901-A2 USE OF S-SUBSTITUTED L-CRYSTEINE FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF DERMATOLOGICAL DISORDERS GHISALBERTI CARLO (BR) 2003-09-18 WO disclosed
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