SCHEMBL8723763

SCHEMBL8723763

N=C(N)c1ccc(C(N)=O)cn1.N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.42
TMPRSS15 P98073 1/20 0.42
F2 P00734 1/20 0.41
ALDH1A1 P00352 1/20 0.39
ACE P12821 4/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CA2 P00918 1/20 0.38
DGAT1 O75907 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
REN P00797 1/20 0.37

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
SCHEMBL6476434 0.82 OPRM1 (0.46) PRSS1TMPRSS15F2ALDH1A1ACE
SCHEMBL6484032 0.81 PRSS1 (0.38) PRSS1TMPRSS15F2ALDH1A1NPSR1
SCHEMBL6484948 0.78 DPP4 (0.40) ALDH1A1CA2DGAT1L3MBTL1
SCHEMBL8933085 0.78 HSD11B1 (0.40) PRSS1TMPRSS15F2ALDH1A1ACE
SCHEMBL29405754 0.77 ACE (0.56) F2ACEREN
SCHEMBL29380436 0.77 ACE (0.56) F2ACEREN
SCHEMBL6681470 0.74 ACE (0.51) F2ACEREN
SCHEMBL30899064 0.74 ACE (0.51) F2ACEREN
SCHEMBL6681472 0.74 ACE (0.51) F2ACEREN
SCHEMBL7702747 0.74 DGAT1 (0.39) PRSS1TMPRSS15F2ALDH1A1ACE

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-0873356-A1 NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1998-10-28 EP disclosed