SCHEMBL8905591

SCHEMBL8905591

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

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.43
ITGA2B P08514 15/20 0.43
F2 P00734 5/20 0.41
ST14 Q9Y5Y6 5/20 0.41
PRSS1 P07477 4/20 0.41
PRSS2 P07478 4/20 0.41
PRSS3 P35030 4/20 0.41
F10 P00742 1/20 0.41
PLG P00747 1/20 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
SCHEMBL8904170 0.90 ITGB3 (0.40) ITGB3ITGA2BF2ST14PRSS1
SCHEMBL8904719 0.88 F2 (0.41) ITGB3ITGA2BF2ST14PRSS1
SCHEMBL8904035 0.85 F2 (0.39) ITGB3ITGA2BF2ST14PRSS1
SCHEMBL8904683 0.85 ITGB3 (0.43) ITGB3ITGA2BF2ST14PRSS1
SCHEMBL8904747 0.84 ST14 (0.39) F2ST14PRSS1PRSS2PRSS3
SCHEMBL8904003 0.82 ITGB3 (0.48) ITGB3ITGA2BF2ST14PRSS1
SCHEMBL8904820 0.81 ST14 (0.38) F2ST14PRSS1PRSS2PRSS3
SCHEMBL8904382 0.81 ST14 (0.41) ITGB3ITGA2BF2ST14PRSS1
SCHEMBL8905580 0.81 ITGB3 (0.57) ITGB3ITGA2BF2
SCHEMBL8905570 0.81 ITGB3 (0.57) ITGB3ITGA2BF2

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