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Sugi Predict / Compounds / SCHEMBL7639745

SCHEMBL7639745

SCHEMBL7639745

COC(=O)C(C)N1CCN(CC2CN(c3ccc(C(=N)NC(=O)c4ccc5ccccc5c4)cc3)C(=O)O2)CC1.CS(=O)(=O)OCC1CN(c2ccc(C(=N)NC(=O)c3ccc4ccccc4c3)cc2)C(=O)O1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 1/20 0.41
▸ ITGA2B P08514 1/20 0.41
▸ SIGMAR1 Q99720 17/20 0.39
▸ GRM2 Q14416 2/20 0.36

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
SCHEMBL7633368 0.95 ITGB3 (0.43) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL7639286 0.95 ITGB3 (0.39) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL7640448 0.94 ITGB3 (0.38) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL6601178 0.93 ITGB3 (0.46) ITGB3ITGA2BSIGMAR1
SCHEMBL7640309 0.93 ITGB3 (0.38) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL7634226 0.93 ITGB3 (0.43) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL7639803 0.90 ITGB3 (0.41) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL7638258 0.90 ITGB3 (0.46) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL7636802 0.89 ITGB3 (0.46) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL7640427 0.88 ITGB3 (0.43) 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