SCHEMBL7295402

SCHEMBL7295402

CC(C)(C)OC(=O)CN1CCN(C(=O)CNC(=O)OCc2ccccc2)[C@@H](CCCCNC(=O)OC(C)(C)C)C1=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
PREP P48147 4/20 0.42
SIGMAR1 Q99720 3/20 0.42
ABCB1 P08183 1/20 0.42
ITGB3 P05106 6/20 0.41
ITGA2B P08514 6/20 0.41
KLK7 P49862 2/20 0.41
KLK5 Q9Y337 2/20 0.41
PLA2G10 O15496 1/20 0.39
PLA2G5 P39877 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
SCHEMBL7296887 0.98 PREP (0.43) MAPTKEAP1NFE2L2PREPSIGMAR1
SCHEMBL7286805 0.98 PREP (0.43) MAPTKEAP1NFE2L2PREPSIGMAR1
SCHEMBL7311516 0.92 ITGB3 (0.46) MAPTKEAP1NFE2L2PREPSIGMAR1
SCHEMBL7342979 0.91 ITGB3 (0.48) PREPSIGMAR1ITGB3ITGA2BPLA2G10
SCHEMBL7331961 0.90 ITGB3 (0.48) PREPSIGMAR1ITGB3ITGA2BPLA2G10
SCHEMBL7295450 0.89 PREP (0.45) MAPTPREPSIGMAR1ITGB3ITGA2B
SCHEMBL7286648 0.89 ITGB3 (0.43) MAPTKEAP1NFE2L2PREPSIGMAR1
SCHEMBL7276265 0.89 ITGB3 (0.49) PREPSIGMAR1ITGB3ITGA2BPLA2G10
SCHEMBL7284719 0.88 ITGB3 (0.43) MAPTKEAP1NFE2L2PREPSIGMAR1
SCHEMBL7292968 0.88 ITGB3 (0.53) PREPSIGMAR1ITGB3ITGA2BPLA2G10

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0822931-B1 PIPERAZINONES USEFUL AS INHIBITORS OF PLATELET AGGREGATION TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-03-27 EP disclosed
US-6020334-A Piperazinones, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-02-01 US disclosed
US-5935963-A (4-GUANIDINOBENZOYLAMINO)ACETYL-3-(3-(4-GUANIDINOBENZOYLAMINO) PROPYL)-2-OXOPIPERAZINE-1-ACETIC ACID OR A SALT; CONTROLLING OR INHIBITING CELL-ADHESION; PLATELET ANTIAGGREGATION WITHOUT LONG HEMORRHAGING; ANTIICHEMIC AGENTS; ANGINA PECTORIS TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 1999-08-10 US disclosed
US-5888531-A ACTIVE MATERIAL STABILIZED WITH DISACCHARIDE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-30 US disclosed
US-5876756-A SUSTAINED RELEASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-02 US disclosed
EP-0822931-A1 PIPERAZINONES USEFUL AS INHIBITORS OF PLATELET AGGREGATION Takeda Chemical Industries, Ltd. (JP) 1998-02-11 EP disclosed
EP-0765660-A2 Microcapsules comprising 2-piperazinone-1-acetic acid compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-04-02 EP disclosed
EP-0750913-A2 Disaccharide containing freeze-dried preparation for pharmaceutical use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-01-02 EP disclosed
WO-1996033982-A1 PIPERAZINONES USEFUL AS INHIBITORS OF PLATELET AGGREGATION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-10-31 WO disclosed