SCHEMBL7308051

SCHEMBL7308051

COC(=O)C[C@H]1C(=O)N(CC(=O)O)CCN1C(=O)[C@H](Cc1ccc(C(=O)OC)cc1)NC(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.48
ITGA2B P08514 3/20 0.48
P2RX7 Q99572 6/20 0.45
CTSK P43235 7/20 0.43
CTSB P07858 6/20 0.43
CTSS P25774 6/20 0.43
CTSL P07711 1/20 0.43
REN P00797 1/20 0.42
ELANE P08246 1/20 0.41

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
SCHEMBL7308737 0.91 P2RX7 (0.47) ITGB3ITGA2BP2RX7CTSKCTSB
SCHEMBL7307823 0.85 P2RX7 (0.46) P2RX7CTSKCTSBCTSSCTSL
SCHEMBL7933465 0.84 PREP (0.52) ITGB3ITGA2BCTSKCTSBCTSS
SCHEMBL7933461 0.84 PREP (0.52) ITGB3ITGA2BCTSKCTSBCTSS
SCHEMBL7933471 0.84 PREP (0.52) ITGB3ITGA2BCTSKCTSBCTSS
SCHEMBL7304992 0.83 ITGB3 (0.65) ITGB3ITGA2B
SCHEMBL7371886 0.83 P2RX7 (0.48) P2RX7CTSKCTSL
SCHEMBL7298331 0.83 ITGB3 (0.46) ITGB3ITGA2BP2RX7CTSKCTSS
SCHEMBL7371887 0.83 P2RX7 (0.48) P2RX7CTSKCTSL
SCHEMBL7371888 0.83 P2RX7 (0.48) P2RX7CTSKCTSL

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-0643072-B1 2-Piperazinone compounds and their use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-02-24 EP disclosed
US-5550131-A ANTITHROMBOTIC AGENT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-08-27 US disclosed
EP-0643072-A1 2-Piperazinone compounds and their use Takeda Chemical Industries, Ltd. (JP) 1995-03-15 EP disclosed