SCHEMBL7300346

SCHEMBL7300346

N[C@@H](Cc1cncn1C(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 5/20 0.47
ALPI P09923 1/20 0.47
PKM P14618 1/20 0.47
PTGS1 P23219 1/20 0.47
XIAP P98170 1/20 0.47
SLC15A1 P46059 1/20 0.44
NOS1 P29475 3/20 0.44
SLC1A1 P43005 3/20 0.40
SLC1A3 P43003 3/20 0.40
GRIA2 P42262 1/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
PGGT1B P53609 1/20 0.40
MEN1 O00255 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
LTA4H P09960 1/20 0.39
PLA2G2A P14555 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC1A2 P43004 1/20 0.39

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
SCHEMBL11463027 0.86 DPP4 (0.40) SLC15A1FNTAFNTBPGGT1BMEN1
SCHEMBL5698987 0.83 SLC1A3 (0.44) SLC7A5NOS1SLC1A3GRIA2
SCHEMBL2512335 0.81 SLC7A5 (0.50) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL2507563 0.81 SLC7A5 (0.50) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL2503926 0.81 SLC7A5 (0.50) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL6554133 0.79 CYP11B1 (0.46) FNTAFNTBPGGT1BMEN1KMT2A
SCHEMBL5171581 0.78 SLC7A5 (0.47) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL18814657 0.78 SMN1; SMN2 (0.40)
Phenylalanine SCHEMBL11781896 0.76 SLC7A5 (0.54) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL22784007 0.76 ALDH1A1 (0.45) SLC15A1MEN1KMT2A

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-0473936-A1 Renin Inhibitors AMERICAN CYANAMID COMPANY (US) 1992-03-11 EP disclosed