SCHEMBL7566461

SCHEMBL7566461

O=C(O)[C@H](CN1C(=O)C(N2CCC(CC3=CC=C4CCCNC4N3)CC2)C1=O)c1cccnc1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.33
ITGA2B P08514 10/20 0.33
ITGAV P06756 5/20 0.32

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
SCHEMBL7575334 0.92 ITGB3 (0.32) ITGB3ITGA2BITGAV
SCHEMBL7575967 0.91 SLC6A2 (0.33) ITGB3ITGA2B
SCHEMBL7566606 0.88 ITGB3 (0.33) ITGB3ITGA2BITGAV
SCHEMBL7571708 0.84 SLC6A2 (0.32) ITGB3ITGA2B
SCHEMBL7568240 0.79 SLC6A2 (0.34) ITGB3ITGA2B
SCHEMBL7007999 0.77 ITGAV (0.52) ITGB3ITGA2BITGAV
SCHEMBL7006995 0.72 ITGAV (0.45) ITGB3ITGA2BITGAV
SCHEMBL7012225 0.70 ITGAV (0.48) ITGB3ITGA2BITGAV
SCHEMBL7007604 0.69 ITGAV (0.48) ITGB3ITGA2BITGAV
SCHEMBL7590655 0.66 ITGAV (0.45) ITGB3ITGA2BITGAV

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
EP-0946165-A4 INTEGRIN ANTAGONISTS MERCK & CO INC (US) 2001-04-11 EP disclosed
EP-0946165-A1 INTEGRIN ANTAGONISTS Merck & Co., Inc. (US) 1999-10-06 EP disclosed
WO-1998018460-A1 INTEGRIN ANTAGONISTS MERCK & CO., INC. (US) 1998-05-07 WO disclosed