SCHEMBL7640396

SCHEMBL7640396

CCOC(=O)C(C)N1CCN(CC2CN(c3ccc(C(=N)NC(=O)c4cccnc4)cc3)C(=O)O2)CC1.CS(=O)(=O)OCC1CN(c2ccc(C(=N)NC(=O)c3cccnc3)cc2)C(=O)O1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.43
ITGA2B P08514 7/20 0.43
PRSS1 P07477 6/20 0.37
PRSS2 P07478 6/20 0.37
PRSS3 P35030 6/20 0.37
ACACB O00763 1/20 0.36
F10 P00742 6/20 0.35
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
SIGMAR1 Q99720 5/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL7639718 0.94 ITGB3 (0.39) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL6599780 0.93 ITGB3 (0.48) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7638254 0.93 ITGB3 (0.37) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7633585 0.92 ITGB3 (0.38) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7634281 0.92 ITGB3 (0.41) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7631925 0.90 ITGB3 (0.53) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7639815 0.89 ITGB3 (0.50) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7633368 0.89 ITGB3 (0.43) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7638635 0.88 ITGB3 (0.48) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL6602426 0.88 ITGB3 (0.46) 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