SCHEMBL6552292

SCHEMBL6552292

N=C(N)N(O)[C@@H](CCc1ccccc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.44
ERAP1 Q9NZ08 4/20 0.42
ANPEP P15144 3/20 0.42
ERAP2 Q6P179 3/20 0.42
NOS1 P29475 1/20 0.42
CNR2 P34972 1/20 0.41
TSHR P16473 1/20 0.41
ALOX5 P09917 1/20 0.40
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
LAP3 P28838 3/20 0.40

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
SCHEMBL1798536 0.85 SLC1A3 (0.49) SLC1A3SLC1A2SLC1A1
SCHEMBL1798535 0.85 SLC1A3 (0.49) SLC1A3SLC1A2SLC1A1
SCHEMBL10482476 0.77 AOC3 (0.47) GRIK1ERAP1ANPEPERAP2CNR2
SCHEMBL23064152 0.76 TSHR (0.49) GRIK1CNR2TSHRALOX5
SCHEMBL3663595 0.76 PPARG (0.46) GRIK1ERAP1ANPEPERAP2CNR2
SCHEMBL23064151 0.76 TSHR (0.49) GRIK1CNR2TSHRALOX5
SCHEMBL4925880 0.74 ALOX5 (0.51) GRIK1ALOX5
SCHEMBL7335142 0.73 ALPI (0.50) SLC1A3SLC1A2SLC1A1
SCHEMBL7335152 0.73 ALPI (0.50) SLC1A3SLC1A2SLC1A1
Hydrochloric Acid SCHEMBL8190926 0.72 ALDH1A1 (0.47) GRIK1ERAP1ANPEPERAP2TSHR

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-1483285-A1 INHIBITORS OF THE BLOOD-CLOTTING FACTOR Xa, PRODUCTION THEREOF AND USE OF THE SAME Curacyte AG (DE) 2004-12-08 EP claimed
WO-2003076457-A1 INHIBITORS OF THE BLOOD-CLOTTING FACTOR Xa, PRODUCTION THEREOF AND USE OF THE SAME CURACYTE AG (DE) 2003-09-18 WO claimed