SCHEMBL7640382

SCHEMBL7640382

CS(=O)(=O)OCC1CN(c2ccc(C(=N)NC(=O)C(c3ccccc3)c3ccccc3)cc2)C(=O)O1.N=C(NC(=O)C(c1ccccc1)c1ccccc1)c1ccc(N2CC(CN3CCN(CC(=O)OCc4ccccc4)CC3)OC2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.46
ITGA2B P08514 7/20 0.46
SIGMAR1 Q99720 5/20 0.37
GRM2 Q14416 4/20 0.35
PRSS1 P07477 6/20 0.34
PRSS2 P07478 6/20 0.34
PRSS3 P35030 6/20 0.34
F10 P00742 4/20 0.34
CCR5 P51681 1/20 0.34
F2 P00734 1/20 0.33
HTR2B P41595 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
SCHEMBL7639801 0.93 ITGB3 (0.48) ITGB3ITGA2BSIGMAR1GRM2PRSS1
SCHEMBL7632243 0.93 ITGB3 (0.50) ITGB3ITGA2BSIGMAR1GRM2PRSS1
SCHEMBL7639806 0.93 ITGB3 (0.47) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL6600730 0.92 ITGB3 (0.51) ITGB3ITGA2BSIGMAR1GRM2PRSS1
SCHEMBL7638626 0.92 ITGB3 (0.40) ITGB3ITGA2BSIGMAR1GRM2PRSS1
SCHEMBL7642058 0.91 ITGB3 (0.47) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL7638241 0.91 ITGB3 (0.44) ITGB3ITGA2BSIGMAR1GRM2HTR2B
SCHEMBL7632999 0.90 ITGB3 (0.54) ITGB3ITGA2BSIGMAR1GRM2PRSS1
SCHEMBL7634297 0.90 ITGB3 (0.48) ITGB3ITGA2BSIGMAR1GRM2PRSS1
SCHEMBL7638997 0.90 ITGB3 (0.49) ITGB3ITGA2BSIGMAR1GRM2PRSS1

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