SCHEMBL7272209

SCHEMBL7272209

CCN(CC)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MME P08473 9/20 0.57
ACE P12821 5/20 0.57
LMNA P02545 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
CPA1 P15085 3/20 0.55
ACE2 Q9BYF1 3/20 0.55
NPSR1 Q6W5P4 1/20 0.54
NAALAD2 Q9Y3Q0 1/20 0.52
PTPN1 P18031 1/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA9 Q16790 1/20 0.52
LPAR1 Q92633 1/20 0.52
KMT2A Q03164 1/20 0.51

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
SCHEMBL7356129 0.90 MME (0.52) MMEACELMNAL3MBTL1CPA1
SCHEMBL14398153 0.87 MME (0.49) MMEACELMNAL3MBTL1CPA1
SCHEMBL9554565 0.86 PTPN1 (0.61) MMEACEL3MBTL1CPA1ACE2
SCHEMBL7266724 0.84 MEN1 (0.60) ACEKMT2A
SCHEMBL16195620 0.84 MME (0.58) MMEACELMNAL3MBTL1CPA1
SCHEMBL7275396 0.81 MME (0.56) MMEACELMNAL3MBTL1CPA1
SCHEMBL7278010 0.81 MME (0.56) MMEACELMNAL3MBTL1CPA1
SCHEMBL9554773 0.79 PTPN1 (0.57) MMEACEL3MBTL1CPA1ACE2
SCHEMBL8027170 0.79 MME (0.88) MMEACECPA1ACE2
SCHEMBL8032885 0.79 MME (0.88) MMEACECPA1ACE2

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
US-5750696-A HYPOTENSIVE AGENTS JAPAN TOBACCO INC. (JP) 1998-05-12 US disclosed
EP-0656356-A1 DIOXACYCLOALKANE COMPOUND WITH RENIN-INHIBITING ACTIVITY JAPAN TOBACCO INC. (JP) 1995-06-07 EP disclosed
US-4963530-A Renin inhibitor peptide compounds, a process for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1990-10-16 US disclosed
EP-0283970-A2 New peptide compounds, a process for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-09-28 EP disclosed