SCHEMBL11279290

SCHEMBL11279290

CC(=O)SCC(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP3 Q9NY33 5/20 0.62
ITGB2 P05107 1/20 0.55
ICAM1 P05362 1/20 0.55
ITGAL P20701 1/20 0.55
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
TACR1 P25103 2/20 0.50
ACE P12821 2/20 0.50
ALOX15 P16050 1/20 0.50
CAPN1 P07384 2/20 0.49
CTSB P07858 2/20 0.49
BCHE P06276 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
SCHEMBL11273963 0.91 DPP3 (0.52) DPP3TACR1CAPN1CTSBBCHE
SCHEMBL30921658 0.87 ITGB2 (0.65) DPP3ITGB2ICAM1ITGALMEN1
SCHEMBL30052964 0.87 DPP3 (0.69) DPP3ITGB2ICAM1ITGALMEN1
SCHEMBL29842186 0.86 DPP3 (0.65) DPP3ITGB2ICAM1ITGALMEN1
SCHEMBL29993422 0.85 DPP3 (0.74) DPP3ITGB2ICAM1ITGALMEN1
Alacepril SCHEMBL683027 0.84 ACE (0.55) DPP3ACE
Alacepril SCHEMBL5058556 0.84 ACE (0.55) DPP3ACE
Alacepril SCHEMBL34559 0.84 ACE (0.55) DPP3ACE
Alacepril SCHEMBL3204613 0.84 ACE (0.55) DPP3ACE
Alacepril SCHEMBL677447 0.84 ACE (0.55) DPP3ACE

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
EP-0007477-B1 1-(3-MERCAPTO-2-METHYLPROPANOYL)PROLYL AMINO ACID DERIVATIVES AND SALTS THEREOF, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH COMPOUNDS Dainippon Pharmaceutical Co., Ltd. (JP) 1982-04-28 EP disclosed
US-4248883-A ANTIHYPERTENSION AGENTS DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1981-02-03 US disclosed
EP-0007477-A1 1-(3-Mercapto-2-methylpropanoyl)prolyl amino acid derivatives and salts thereof, processes for their preparation, and pharmaceutical compositions containing such compounds Dainippon Pharmaceutical Co., Ltd. (JP) 1980-02-06 EP disclosed