SCHEMBL7632005

SCHEMBL7632005

CCOC(=O)C1CCN(CC2CN(c3ccc(C(=N)NC(=O)Oc4ccccc4)cc3)C(=O)O2)CC1.CS(=O)(=O)OCC1CN(c2ccc(C(=N)NC(=O)Oc3ccccc3)cc2)C(=O)O1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.48
ITGA2B P08514 9/20 0.48
PRSS1 P07477 8/20 0.48
PRSS2 P07478 8/20 0.48
PRSS3 P35030 8/20 0.48
F10 P00742 12/20 0.47
SIGMAR1 Q99720 2/20 0.40
GRM2 Q14416 2/20 0.37

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
SCHEMBL7637832 0.93 ITGB3 (0.52) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7313263 0.93 ITGB3 (0.54) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7639790 0.92 ITGB3 (0.53) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7634219 0.91 ITGB3 (0.47) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7639772 0.90 ITGB3 (0.55) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7639270 0.88 ITGB3 (0.45) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7639427 0.88 ITGB3 (0.52) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL6601409 0.87 GRM2 (0.48) GRM2
SCHEMBL7634270 0.87 ITGB3 (0.48) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7634302 0.86 ITGB3 (0.51) ITGB3ITGA2BPRSS1PRSS2PRSS3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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