SCHEMBL7286648

SCHEMBL7286648

CC(C)(C)OC(=O)NCCCCC(=O)NCCC[C@H]1C(=O)N(CC(=O)O)CCN1C(=O)CNC(=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.43
ITGA2B P08514 9/20 0.43
PREP P48147 4/20 0.42
SIGMAR1 Q99720 3/20 0.41
KLK7 P49862 1/20 0.40
KLK5 Q9Y337 1/20 0.40
MAPT P10636 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40

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
SCHEMBL7284719 0.99 ITGB3 (0.43) ITGB3ITGA2BPREPSIGMAR1KLK7
SCHEMBL8619569 0.98 SIGMAR1 (0.44) ITGB3ITGA2BPREPSIGMAR1
SCHEMBL7285021 0.98 SIGMAR1 (0.44) ITGB3ITGA2BPREPSIGMAR1
SCHEMBL7311516 0.95 ITGB3 (0.46) ITGB3ITGA2BPREPSIGMAR1MAPT
SCHEMBL7333560 0.89 ITGB3 (0.43) ITGB3ITGA2BPREPSIGMAR1KLK7
SCHEMBL7286805 0.89 PREP (0.43) ITGB3ITGA2BPREPSIGMAR1KLK7
SCHEMBL7296887 0.89 PREP (0.43) ITGB3ITGA2BPREPSIGMAR1KLK7
SCHEMBL7295402 0.89 MAPT (0.42) ITGB3ITGA2BPREPSIGMAR1KLK7
SCHEMBL7359899 0.89 ITGB3 (0.46) ITGB3ITGA2BPREP
SCHEMBL8553717 0.88 ITGB3 (0.51) ITGB3ITGA2BPREP

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