SCHEMBL7439848

SCHEMBL7439848

N=C(N)c1ccc(C(=O)N[C@@H](Cc2cccc(Oc3ccccc3)c2)C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.55
ACE P12821 3/20 0.55
MME P08473 1/20 0.55
CPA1 P15085 1/20 0.55
ACE2 Q9BYF1 1/20 0.55
GPR132 Q9UNW8 3/20 0.55
ITGB3 P05106 1/20 0.52
ITGA2B P08514 1/20 0.52
CA2 P00918 3/20 0.52
CA1 P00915 1/20 0.52
PTPN1 P18031 1/20 0.51
F2 P00734 5/20 0.51
PRSS1 P07477 3/20 0.51
PRSS2 P07478 1/20 0.51
PRSS3 P35030 1/20 0.51
PLAU P00749 1/20 0.49
FURIN P09958 1/20 0.49
F7 P08709 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
SCHEMBL7439860 1.00 F10 (0.55) F10ACEMMECPA1ACE2
SCHEMBL10816310 0.90 GPR132 (0.66) ACEMMECPA1ACE2GPR132
Iodide SCHEMBL7430202 0.88 F2 (0.53) F10ACEMMECPA1ACE2
SCHEMBL7434379 0.83 GPR132 (0.56) ACEMMECPA1ACE2GPR132
SCHEMBL7434372 0.83 GPR132 (0.56) ACEMMECPA1ACE2GPR132
SCHEMBL1123234 0.81 GPR132 (0.71) GPR132ITGB3ITGA2BPTPN1
SCHEMBL11037416 0.80 GPR132 (0.66) ACEGPR132ITGB3ITGA2BCA2
SCHEMBL5921805 0.79 GPR132 (0.62) ACEGPR132CA2CA1PTPN1
SCHEMBL5921800 0.79 GPR132 (0.62) ACEGPR132CA2CA1PTPN1
SCHEMBL1123282 0.79 PTPN1 (0.58) ACEMMECPA1ACE2GPR132

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4873253-A Phenylalanine derivative and proteinase inhibitor Okamoto, Shosuke (JP) 1989-10-10 US claimed
EP-0284632-A1 Phenylalanine derivative and proteinase inhibitor Okamoto, Shosuke (JP) 1988-10-05 EP claimed