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Sugi Predict / Compounds / SCHEMBL7633503

SCHEMBL7633503

SCHEMBL7633503

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

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 1/20 0.45
▸ ITGA2B P08514 1/20 0.45
▸ SIGMAR1 Q99720 18/20 0.39
▸ GRM2 Q14416 1/20 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
SCHEMBL7638258 0.95 ITGB3 (0.46) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL7640371 0.93 ITGB3 (0.40) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL7639815 0.93 ITGB3 (0.50) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL7636135 0.93 ITGB3 (0.43) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL6602056 0.92 ITGB3 (0.51) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL7634173 0.92 ITGB3 (0.41) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL7641745 0.92 ITGB3 (0.40) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL7631939 0.91 ITGB3 (0.44) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL7642364 0.91 ITGB3 (0.39) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL7631964 0.90 ITGB3 (0.41) ITGB3ITGA2BSIGMAR1GRM2

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