SCHEMBL7307823

SCHEMBL7307823

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

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 9/20 0.46
CTSK P43235 7/20 0.43
CTSS P25774 5/20 0.43
CTSB P07858 4/20 0.43
CTSL P07711 3/20 0.43
TGM2 P21980 1/20 0.43
YAP1 P46937 1/20 0.42
MC4R P32245 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
SCHEMBL7371886 0.94 P2RX7 (0.48) P2RX7CTSKCTSLYAP1
SCHEMBL7371888 0.94 P2RX7 (0.48) P2RX7CTSKCTSLYAP1
SCHEMBL7371887 0.94 P2RX7 (0.48) P2RX7CTSKCTSLYAP1
SCHEMBL7297146 0.93 P2RX7 (0.49) P2RX7CTSKCTSLYAP1
SCHEMBL7301305 0.87 P2RX7 (0.43) P2RX7CTSKCTSSCTSLYAP1
SCHEMBL7363004 0.87 KLK7 (0.47) CTSKCTSSCTSBCTSL
SCHEMBL7367319 0.87 KLK7 (0.47) CTSKCTSSCTSBCTSL
SCHEMBL7363000 0.87 KLK7 (0.47) CTSKCTSSCTSBCTSL
SCHEMBL7367317 0.87 KLK7 (0.47) CTSKCTSSCTSBCTSL
SCHEMBL7363006 0.87 KLK7 (0.47) CTSKCTSSCTSBCTSL

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