SCHEMBL7639286

SCHEMBL7639286

CC(C)OC(=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 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.39
ITGA2B P08514 2/20 0.39
SIGMAR1 Q99720 14/20 0.36
GRM2 Q14416 2/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
F10 P00742 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
SCHEMBL7639745 0.95 ITGB3 (0.41) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL7633368 0.94 ITGB3 (0.43) ITGB3ITGA2BSIGMAR1GRM2PRSS1
SCHEMBL6603912 0.93 ITGB3 (0.43) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL7634173 0.93 ITGB3 (0.41) ITGB3ITGA2BSIGMAR1GRM2PRSS1
SCHEMBL7640448 0.92 ITGB3 (0.38) ITGB3ITGA2BSIGMAR1GRM2KDM4E
SCHEMBL7640309 0.92 ITGB3 (0.38) ITGB3ITGA2BSIGMAR1GRM2PRSS1
SCHEMBL7640427 0.91 ITGB3 (0.43) ITGB3ITGA2BSIGMAR1GRM2KDM4E
SCHEMBL7640371 0.90 ITGB3 (0.40) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL7633503 0.89 ITGB3 (0.45) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL7639718 0.89 ITGB3 (0.39) ITGB3ITGA2BSIGMAR1ALDH1A1PRSS1

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