SCHEMBL8716908

SCHEMBL8716908

CN(Cc1ccccc1)C(=O)[C@H](CC(=O)O)NS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.54
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
POLB P06746 2/20 0.47
ALDH1A1 P00352 1/20 0.47
NPY5R Q15761 1/20 0.47
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
F10 P00742 1/20 0.46
PLG P00747 1/20 0.46
PLAT P00750 1/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45

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
SCHEMBL7294588 0.87 F2 (0.48) F2MEN1KMT2APOLBALDH1A1
SCHEMBL8716913 0.85 MEN1 (0.55) F2MEN1KMT2APOLBALDH1A1
SCHEMBL8716462 0.83 GAA (0.49) F2MEN1KMT2AALDH1A1NPY5R
SCHEMBL8716935 0.81 GAA (0.46) F2MEN1KMT2APOLBALDH1A1
SCHEMBL8388668 0.81 SLC1A3 (0.60) F2POLBALDH1A1SLC1A3SLC1A2
SCHEMBL8388664 0.81 SLC1A3 (0.60) F2POLBALDH1A1SLC1A3SLC1A2
SCHEMBL8686247 0.80 CCKBR (0.50) F2ALDH1A1SLC1A3SLC1A2SLC1A1
SCHEMBL8685939 0.79 CCKBR (0.54) F2ALDH1A1SLC1A3SLC1A2SLC1A1
SCHEMBL8690382 0.79 CCKBR (0.54) F2ALDH1A1SLC1A3SLC1A2SLC1A1
SCHEMBL7299650 0.79 NPY5R (0.52) F2POLBALDH1A1NPY5RSLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5763604-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1998-06-09 US disclosed
US-5677448-A CHEMICAL INTERMEDIATES FOR MAKING ANTAGONIST OF THROMBIN, TREATING THROMBOSIS, STROKE, INFLAMMATION, ARTERIOSCLEROSIS, CARDIOVASCULAR DISORDERS HOFFMANN-LA ROCHE INC. (US) 1997-10-14 US disclosed
US-5578594-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1996-11-26 US disclosed
US-5405854-A Anticoagulants HOFFMANN-LA ROCHE INC. (US) 1995-04-11 US disclosed