SCHEMBL7358243

SCHEMBL7358243

N=C(N)c1ccc(C(=O)NCCC[C@H]2C(=O)N(CC(=O)O)CCN2C(=O)CNC(=O)c2ccc(C(=N)N)cc2)cc1

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.82
ITGA2B P08514 20/20 0.82

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
SCHEMBL6157010 1.00 ITGB3 (0.82) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7026781 0.99 ITGB3 (0.81) ITGB3ITGA2B
SCHEMBL6157611 0.97 ITGB3 (0.81) ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL8220640 0.95 ITGB3 (0.75) ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL8218096 0.95 ITGB3 (0.75) ITGB3ITGA2B
SCHEMBL6158741 0.94 ITGB3 (0.85) ITGB3ITGA2B
SCHEMBL7298296 0.94 ITGB3 (0.73) ITGB3ITGA2B
SCHEMBL8550359 0.93 ITGB3 (0.75) ITGB3ITGA2B
SCHEMBL7592427 0.93 ITGB3 (0.75) ITGB3ITGA2B
SCHEMBL8554031 0.93 ITGB3 (0.72) ITGB3ITGA2B

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-0822931-A1 PIPERAZINONES USEFUL AS INHIBITORS OF PLATELET AGGREGATION Takeda Chemical Industries, Ltd. (JP) 1998-02-11 EP disclosed
WO-1996033982-A1 PIPERAZINONES USEFUL AS INHIBITORS OF PLATELET AGGREGATION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-10-31 WO disclosed