SCHEMBL10433908

SCHEMBL10433908

CCCC[C@H](NN(C(=O)OC(C)(C)C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O)[C@@H](O)CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 4/20 0.41
▸ MMP2 P08253 9/20 0.38
▸ MMP1 P03956 4/20 0.38
▸ MMP3 P08254 4/20 0.38
▸ CCKBR P32239 2/20 0.37
▸ CCKAR P32238 1/20 0.37
▸ OPRD1 P41143 1/20 0.37
▸ PTPN1 P18031 1/20 0.37
▸ KLK5 Q9Y337 1/20 0.36
▸ MME P08473 1/20 0.36
▸ ACE P12821 1/20 0.36
▸ CPA1 P15085 1/20 0.36
▸ ACE2 Q9BYF1 1/20 0.36

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
SCHEMBL10433962 0.77 REN (0.53) REN
SCHEMBL7300127 0.73 ACE (0.57) RENCCKBRCCKARPTPN1ACE
SCHEMBL10522069 0.73 ACE (0.57) RENCCKBRCCKARPTPN1ACE
SCHEMBL23598225 0.73 ACE (0.57) RENCCKBRCCKARPTPN1ACE
SCHEMBL28571315 0.73 CTSS (0.57) RENCCKBRCCKARPTPN1ACE
SCHEMBL30882337 0.73 CTSS (0.57) RENCCKBRCCKARPTPN1ACE
SCHEMBL28571321 0.73 CTSS (0.57) RENCCKBRCCKARPTPN1ACE
SCHEMBL10522277 0.70 REN (0.49) RENKLK5
SCHEMBL30152073 0.70 GNPAT (0.52) MMP2MMP1MMP3MMEACE
Dl-Phenylalanine SCHEMBL28124565 0.69 ACE (0.53) RENCCKBRCCKARPTPN1ACE

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-0369141-A1 Aspartic protease inhibitors for the treatment of diseases caused by retroviruses MERCK PATENT GmbH (DE) 1990-05-23 — — EP disclosed
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