SCHEMBL8904683

SCHEMBL8904683

N=C(N)c1ccc2c(C(=O)NC3CCC(OCC(=O)O)CC3)occ2c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.43
ITGA2B P08514 5/20 0.43
ST14 Q9Y5Y6 14/20 0.41
F2 P00734 13/20 0.41
PRSS1 P07477 10/20 0.41
PRSS2 P07478 10/20 0.41
PRSS3 P35030 10/20 0.41
F10 P00742 2/20 0.41
TPSAB1 Q15661 1/20 0.39
TPSD1 Q9BZJ3 1/20 0.39
TPSG1 Q9NRR2 1/20 0.39
PLG P00747 3/20 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
SCHEMBL8904600 0.89 ITGB3 (0.49) ITGB3ITGA2BST14F2PRSS1
SCHEMBL8904684 0.87 ITGB3 (0.40) ITGB3ITGA2BST14F2PRSS1
SCHEMBL8903365 0.87 ITGB3 (0.38) ITGB3ITGA2BST14F2PRSS1
SCHEMBL8904719 0.85 F2 (0.41) ITGB3ITGA2BST14F2PRSS1
SCHEMBL8904701 0.85 ITGB3 (0.41) ITGB3ITGA2BST14F2PRSS1
SCHEMBL8905591 0.85 ITGB3 (0.43) ITGB3ITGA2BST14F2PRSS1
SCHEMBL8904170 0.83 ITGB3 (0.40) ITGB3ITGA2BST14F2PRSS1
SCHEMBL8904035 0.83 F2 (0.39) ITGB3ITGA2BST14F2PRSS1
SCHEMBL8904670 0.82 F2 (0.55) ITGB3ITGA2BF2TPSAB1TPSD1
SCHEMBL8716704 0.82 F2 (0.55) ITGB3ITGA2BF2TPSAB1TPSD1

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-5635527-A ANTAGONIST OF PLATELET MEMBRANE GLYCOPROTEIN; TREATMENT OF THROMBOTIC DISEASES THE GREEN CROSS CORPORATION (JP) 1997-06-03 US claimed
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 claimed
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