SCHEMBL7368980

SCHEMBL7368980

COC(=O)C[C@H]1C(=O)N(CC(=O)O)CCN1C(=O)CCC(=O)N1CCN(c2ccncc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.51
ITGA2B P08514 18/20 0.51
MMP2 P08253 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
SCHEMBL7368990 1.00 ITGB3 (0.51) ITGB3ITGA2BMMP2
SCHEMBL7448759 0.94 ITGB3 (0.45) ITGB3ITGA2BMMP2
SCHEMBL7448765 0.94 ITGB3 (0.45) ITGB3ITGA2BMMP2
SCHEMBL7935145 0.87 ITGB3 (0.46) ITGB3ITGA2B
SCHEMBL7370709 0.87 ITGB3 (0.46) ITGB3ITGA2B
SCHEMBL7370702 0.87 ITGB3 (0.46) ITGB3ITGA2B
SCHEMBL7935162 0.86 ITGB3 (0.50) ITGB3ITGA2BMMP2
SCHEMBL7935148 0.86 ITGB3 (0.50) ITGB3ITGA2BMMP2
SCHEMBL7444700 0.86 ITGB3 (0.45) ITGB3ITGA2B
SCHEMBL7449519 0.85 HSD17B10 (0.55) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6242600-B1 ANTIISCHEMIC AGENTS, ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-05 US disclosed
EP-0970071-A1 2-PEPERAZINONE-1-ACETIC ACID DERIVATIVES AND THEIR USE Takeda Chemical Industries, Ltd. (JP) 2000-01-12 EP disclosed
WO-1998039324-A1 2-PEPERAZINONE-1-ACETIC ACID DERIVATIVES AND THEIR USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-11 WO disclosed