SCHEMBL7441309

SCHEMBL7441309

NCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 3/20 0.46
▸ ITGA2B P08514 3/20 0.46
▸ PTPN1 P18031 1/20 0.45
▸ CCKBR P32239 1/20 0.44
▸ CHRNA1 P02708 1/20 0.44
▸ CHRNG P07510 1/20 0.44
▸ CHRNB1 P11230 1/20 0.44
▸ CHRND Q07001 1/20 0.44
▸ REN P00797 1/20 0.44
▸ MMP2 P08253 1/20 0.43
▸ CHRNB2 P17787 1/20 0.43
▸ CHRNB4 P30926 1/20 0.43
▸ CHRNA3 P32297 1/20 0.43
▸ CHRNA4 P43681 1/20 0.43
▸ CALCRL Q16602 2/20 0.43

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
SCHEMBL24919552 0.90 NPY4R (0.57) CALCRL
SCHEMBL9417215 0.88 ITGB3 (0.49) ITGB3ITGA2BPTPN1CCKBRCHRNA1
SCHEMBL10605598 0.86 PTPN1 (0.52) PTPN1REN
SCHEMBL9417261 0.86 REN (0.48) PTPN1REN
SCHEMBL7448118 0.85 REN (0.53) PTPN1CCKBRREN
SCHEMBL25626461 0.84 ACE (0.48) PTPN1
SCHEMBL11759100 0.83 REN (0.54) PTPN1REN
SCHEMBL11765581 0.83 REN (0.54) PTPN1REN
SCHEMBL9472410 0.83 REN (0.47) PTPN1REN
SCHEMBL9390320 0.82 SLC15A2 (0.54) ITGB3ITGA2BCALCRL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0258289-A4 PEPTIDE ANALOGS — 1991-01-02 — — EP disclosed
US-4977277-A INTERMEDIATES FOR RENIN INHIBITORS ABBOTT LABORATORIES (US) 1990-12-11 — — US disclosed
US-4837204-A RENIN INHIBITORS; HYPOTENSIVE AGENTS ABBOTT LABORATORIES (US) 1989-06-06 — — US disclosed
US-4826815-A HYPOTENSIVE ABBOTT LABORATORIES (US) 1989-05-02 — — US disclosed
EP-0258289-A1 PEPTIDE ANALOGS ABBOTT LABORATORIES (US) 1988-03-09 — — EP disclosed
WO-1987004349-A1 PEPTIDE ANALOGS DELLARIA JOSEPH 1987-07-30 — — WO disclosed
EP-0230266-A2 Functionalized peptidyl aminodiols and -triols ABBOTT LABORATORIES (US) 1987-07-29 — — EP disclosed
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