SCHEMBL6622073

SCHEMBL6622073

CCCCOC(=O)C(CCC(=O)N1CCC2(CCN(C(=O)CCN/C(=N/C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CC2)CC1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.42
ITGA2B P08514 11/20 0.42
BCHE P06276 2/20 0.40
ACHE P22303 2/20 0.40
SIGMAR1 Q99720 2/20 0.38
MMP2 P08253 4/20 0.37
MMP9 P14780 4/20 0.37
MMP8 P22894 4/20 0.37
MMP12 P39900 4/20 0.37
MMP14 P50281 4/20 0.37
P2RY12 Q9H244 1/20 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
SCHEMBL6622077 1.00 ITGB3 (0.42) ITGB3ITGA2BBCHEACHESIGMAR1
SCHEMBL6778116 0.92 ITGB3 (0.43) ITGB3ITGA2BSIGMAR1MMP2MMP9
SCHEMBL6778113 0.92 ITGB3 (0.43) ITGB3ITGA2BSIGMAR1MMP2MMP9
SCHEMBL7152136 0.90 ITGB3 (0.49) ITGB3ITGA2BSIGMAR1MMP2MMP9
SCHEMBL7152147 0.90 ITGB3 (0.49) ITGB3ITGA2BSIGMAR1MMP2MMP9
SCHEMBL6622583 0.78 ITGB3 (0.49) ITGB3ITGA2BSIGMAR1MMP2MMP9
SCHEMBL6622584 0.78 ITGB3 (0.49) ITGB3ITGA2BSIGMAR1MMP2MMP9
SCHEMBL6620316 0.76 ITGB3 (0.51) ITGB3ITGA2BMMP2MMP9
SCHEMBL6620319 0.76 ITGB3 (0.51) ITGB3ITGA2BMMP2MMP9
Acetic Acid SCHEMBL6621008 0.73 ITGB3 (0.53) ITGB3ITGA2BMMP2MMP9

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
EP-0854869-B1 SPIRO COMPOUNDS AS INHIBITORS OF FIBRINOGEN-DEPENDENT PLATELET AGGREGATION LILLY CO ELI (US) 2004-08-25 EP disclosed
US-6291469-B1 Spiro compounds as inhibitors of fibrinogen-dependent platelet aggregation ELI LILLY AND COMPANY 2001-09-18 US disclosed