SCHEMBL7639670

SCHEMBL7639670

CCOC(=O)CNC(=O)NC(=N)c1ccc(N2CC(CN3CCN(CC(=O)OC(C)C)CC3)OC2=O)cc1.CCOC(=O)CNC(=O)NC(=N)c1ccc(N2CC(COS(C)(=O)=O)OC2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.51
ITGA2B P08514 7/20 0.51
PRSS1 P07477 6/20 0.38
PRSS2 P07478 6/20 0.38
PRSS3 P35030 6/20 0.38
F10 P00742 5/20 0.36
SIGMAR1 Q99720 3/20 0.34
GRM2 Q14416 1/20 0.34

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
SCHEMBL6600569 0.93 ITGB3 (0.57) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7634014 0.92 ITGB3 (0.46) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7633507 0.89 ITGB3 (0.49) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL6604729 0.88 ITGB3 (0.44) ITGB3ITGA2BPRSS1PRSS2PRSS3
Gantofiban SCHEMBL7633249 0.88 ITGB3 (0.61) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7639810 0.86 ITGB3 (0.48) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL6602169 0.86 ITGB3 (0.62) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7633208 0.86 ITGB3 (0.45) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7639664 0.85 ITGB3 (0.44) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL6606260 0.85 ITGB3 (0.52) 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