SCHEMBL8904003

SCHEMBL8904003

N=C(N)c1ccc2c(C(=O)NC3CCN(CCC(=O)O)CC3)occ2c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.48
ITGA2B P08514 6/20 0.48
ST14 Q9Y5Y6 4/20 0.47
F2 P00734 3/20 0.47
F10 P00742 2/20 0.47
PRSS1 P07477 2/20 0.45
PRSS2 P07478 2/20 0.45
PRSS3 P35030 2/20 0.45
DRD4 P21917 5/20 0.43
SLC6A12 P48065 1/20 0.40
SLC6A13 Q9NSD5 1/20 0.40
HPN P05981 1/20 0.40
HGFAC Q04756 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39

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
SCHEMBL8905976 0.88 ST14 (0.45) ITGB3ITGA2BST14F2F10
SCHEMBL8904170 0.85 ITGB3 (0.40) ITGB3ITGA2BST14F2F10
SCHEMBL8712887 0.83 ITGB3 (0.58) ITGB3ITGA2BST14F2F10
SCHEMBL8904719 0.82 F2 (0.41) ITGB3ITGA2BST14F2F10
SCHEMBL8905591 0.82 ITGB3 (0.43) ITGB3ITGA2BST14F2F10
SCHEMBL8904035 0.80 F2 (0.39) ITGB3ITGA2BST14F2F10
SCHEMBL8904683 0.80 ITGB3 (0.43) ITGB3ITGA2BST14F2F10
SCHEMBL8904747 0.77 ST14 (0.39) ST14F2F10PRSS1PRSS2
SCHEMBL8904820 0.75 ST14 (0.38) ST14F2F10PRSS1PRSS2
SCHEMBL8904382 0.75 ST14 (0.41) ITGB3ITGA2BST14F2F10

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