SCHEMBL8904684

SCHEMBL8904684

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.40
ITGA2B P08514 3/20 0.40
F2 P00734 14/20 0.38
TPSAB1 Q15661 2/20 0.38
TPSD1 Q9BZJ3 2/20 0.38
TPSG1 Q9NRR2 2/20 0.38
ST14 Q9Y5Y6 15/20 0.36
PRSS1 P07477 11/20 0.36
PRSS2 P07478 11/20 0.36
PRSS3 P35030 11/20 0.36
F10 P00742 2/20 0.36
PLG P00747 3/20 0.35

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 0.91 ITGB3 (0.49) ITGB3ITGA2BF2TPSAB1TPSD1
SCHEMBL8904683 0.87 ITGB3 (0.43) ITGB3ITGA2BF2TPSAB1TPSD1
SCHEMBL8903365 0.86 ITGB3 (0.38) ITGB3ITGA2BF2TPSAB1TPSD1
SCHEMBL8905129 0.86 ST14 (0.36) F2ST14PRSS1PRSS2PRSS3
SCHEMBL8718293 0.84 TPSAB1 (0.53) ITGB3ITGA2BF2TPSAB1TPSD1
SCHEMBL8904674 0.84 TPSAB1 (0.53) ITGB3ITGA2BF2TPSAB1TPSD1
SCHEMBL8904382 0.78 ST14 (0.41) ITGB3ITGA2BF2ST14PRSS1
SCHEMBL8905591 0.77 ITGB3 (0.43) ITGB3ITGA2BF2ST14PRSS1
SCHEMBL8904719 0.77 F2 (0.41) ITGB3ITGA2BF2ST14PRSS1
SCHEMBL8904747 0.77 ST14 (0.39) F2ST14PRSS1PRSS2PRSS3

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