SCHEMBL7639673

SCHEMBL7639673

COC(=O)C(C)N1CCN(CC2CN(c3ccc(C(=N)NC(=O)OCc4ccccc4)cc3)C(=O)O2)CC1.CS(=O)(=O)OCC1CN(c2ccc(C(=N)NC(=O)OCc3ccccc3)cc2)C(=O)O1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
SIGMAR1 Q99720 11/20 0.39
GRM2 Q14416 4/20 0.35
HTR2B P41595 1/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MASP2 O00187 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
SCHEMBL7637785 0.97 ITGB3 (0.41) ITGB3ITGA2BSIGMAR1GRM2HTR2B
SCHEMBL7639748 0.95 ITGB3 (0.42) ITGB3ITGA2BSIGMAR1GRM2HTR2B
SCHEMBL7641745 0.95 ITGB3 (0.40) ITGB3ITGA2BSIGMAR1GRM2HTR2B
SCHEMBL7632358 0.95 ITGB3 (0.44) ITGB3ITGA2BSIGMAR1GRM2HTR2B
SCHEMBL7639008 0.94 ITGB3 (0.39) ITGB3ITGA2BSIGMAR1GRM2HTR2B
SCHEMBL6601097 0.93 ITGB3 (0.47) ITGB3ITGA2BSIGMAR1GRM2HTR2B
SCHEMBL7638258 0.92 ITGB3 (0.46) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL7639345 0.92 ITGB3 (0.40) ITGB3ITGA2BSIGMAR1GRM2HTR2B
SCHEMBL7634226 0.91 ITGB3 (0.43) ITGB3ITGA2BSIGMAR1GRM2HTR2B
SCHEMBL7634297 0.90 ITGB3 (0.48) 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