SCHEMBL6600718

SCHEMBL6600718

CS(=O)(=O)OCC1CN(c2ccc(C(=N)NC(=O)c3ccccc3)cc2)C(=O)O1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 12/20 0.45
ITGB3 P05106 5/20 0.43
PRSS1 P07477 5/20 0.43
PRSS2 P07478 5/20 0.43
ITGA2B P08514 5/20 0.43
PRSS3 P35030 5/20 0.43
F10 P00742 3/20 0.43

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
SCHEMBL6600722 1.00 GRM2 (0.45) GRM2ITGB3PRSS1PRSS2ITGA2B
SCHEMBL6601789 1.00 GRM2 (0.45) GRM2ITGB3PRSS1PRSS2ITGA2B
SCHEMBL6600484 0.93 GRM2 (0.52) GRM2ITGB3PRSS1PRSS2ITGA2B
SCHEMBL6603425 0.93 GRM2 (0.46) GRM2ITGB3PRSS1PRSS2ITGA2B
SCHEMBL6601386 0.92 GRM2 (0.44) GRM2ITGB3PRSS1PRSS2ITGA2B
SCHEMBL6604843 0.92 F10 (0.48) GRM2ITGB3PRSS1PRSS2ITGA2B
SCHEMBL6601640 0.91 GRM2 (0.49) GRM2ITGB3PRSS1PRSS2ITGA2B
SCHEMBL6604063 0.91 GRM2 (0.49) GRM2ITGB3PRSS1PRSS2ITGA2B
SCHEMBL6601469 0.91 GRM2 (0.49) GRM2ITGB3PRSS1PRSS2ITGA2B
SCHEMBL6603571 0.90 GRM2 (0.47) GRM2ITGB3PRSS1PRSS2ITGA2B

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-0741133-B1 Adhesion receptor antagonists MERCK PATENT GMBH (DE) 2004-01-28 EP disclosed
US-6455529-B1 OXAZOLIDIN-2-ONE DERIVATIVES; ANTICOAGULANTS; ANTIMETASTASIS, ANTICARCINOGENIC, ANTIISCHEMIC, AND ANTIINFLAMMATORY AGENTS; OSTEOPOROSIS, ARTERIOSCLEROSIS MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2002-09-24 US disclosed
EP-0741133-A2 Adhesion receptor antagonists MERCK PATENT GmbH (DE) 1996-11-06 EP disclosed