SCHEMBL8905196

SCHEMBL8905196

N=C(N)c1ccc2c(C(=O)Nc3ccc(C[C@H](NC(=O)COC4CCNCC4)C(=O)O)cc3)occ2c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.42
F2 P00734 7/20 0.42
ITGB3 P05106 5/20 0.41
ITGA2B P08514 5/20 0.41
PRSS1 P07477 5/20 0.37
PLG P00747 3/20 0.37
PLAU P00749 3/20 0.37
PLAT P00750 3/20 0.37
KLKB1 P03952 3/20 0.37
TMPRSS15 P98073 1/20 0.37
F7 P08709 1/20 0.36

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
SCHEMBL8904956 0.81 F2 (0.41) F10F2PRSS1PLGPLAU
SCHEMBL8903960 0.79 F2 (0.47) F2ITGB3ITGA2BPRSS1PLG
SCHEMBL8906154 0.79 ITGB3 (0.47) F2ITGB3ITGA2BPRSS1PLG
SCHEMBL8904848 0.78 PLAU (0.48) F2ITGB3ITGA2BPRSS1PLG
SCHEMBL8903880 0.77 F2 (0.41) F10F2ITGB3ITGA2BPRSS1
SCHEMBL8905600 0.75 ITGB3 (0.54) F2ITGB3ITGA2BPRSS1PLG
SCHEMBL8903869 0.75 ITGB3 (0.54) F2ITGB3ITGA2BPRSS1PLG
SCHEMBL8904679 0.74 PLAU (0.50) F2ITGB3ITGA2BPRSS1PLG
SCHEMBL8903828 0.72 MEN1 (0.48) F10F2ITGB3ITGA2BPRSS1
SCHEMBL8904683 0.71 ITGB3 (0.43) F10F2ITGB3ITGA2BPRSS1

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
US-5635527-A ANTAGONIST OF PLATELET MEMBRANE GLYCOPROTEIN; TREATMENT OF THROMBOTIC DISEASES THE GREEN CROSS CORPORATION (JP) 1997-06-03 US disclosed
EP-0712844-A1 NOVEL FUSED-RING CARBOXYLIC ACID COMPOUND OR SALT THEREOF, AND MEDICINAL USE THEREOF THE GREEN CROSS CORPORATION (JP) 1996-05-22 EP disclosed