SCHEMBL7317645

SCHEMBL7317645

N=C(N)Nc1ccc(CN(C(=O)O)C(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.42
ACHE P22303 2/20 0.42
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PRSS1 P07477 3/20 0.41
F2 P00734 2/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
TMPRSS6 Q8IU80 1/20 0.41
ST14 Q9Y5Y6 1/20 0.41
SPHK1 Q9NYA1 4/20 0.40
MTOR P42345 1/20 0.39
PLG P00747 2/20 0.38
PLAU P00749 2/20 0.38
PLAT P00750 2/20 0.38
KLKB1 P03952 2/20 0.38
RORC P51449 1/20 0.38

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
SCHEMBL7958341 0.79 GRM2 (0.41) BCHEACHEPRSS1F2TMPRSS6
SCHEMBL4099538 0.79 KMT2A (0.57) ALDH1A1RORC
Hydrochloric Acid SCHEMBL7319435 0.77 KMT2A (0.56) ALDH1A1RORC
SCHEMBL11223377 0.77 CA2 (0.53) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL7421165 0.76 MEN1 (0.39) BCHEACHEALDH1A1PRSS1F2
SCHEMBL4109710 0.76 FFAR1 (0.53)
SCHEMBL7446619 0.76 NPC1 (0.51) F2RORC
SCHEMBL3785285 0.75 AOC3 (0.45) NPSR1PRSS1F2PRSS2PRSS3
SCHEMBL1743186 0.75 ADRA2A (0.50) ALDH1A1PRSS1F2PRSS2PRSS3
SCHEMBL11223373 0.75 GAA (0.44) PRSS1F2PRSS2PRSS3TMPRSS6

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
EP-1050534-B1 2,3-methano-amino acid derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2001-12-05 EP disclosed
EP-1050534-A1 2,3-methano-amino acid derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2000-11-08 EP disclosed