SCHEMBL7633368

SCHEMBL7633368

CCOC(=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 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.43
ITGA2B P08514 7/20 0.43
F10 P00742 5/20 0.37
PRSS1 P07477 6/20 0.37
PRSS2 P07478 6/20 0.37
PRSS3 P35030 6/20 0.37
SIGMAR1 Q99720 8/20 0.36
GRM2 Q14416 2/20 0.35
HTR1A P08908 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
SCHEMBL7639745 0.95 ITGB3 (0.41) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL7639286 0.94 ITGB3 (0.39) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL6605686 0.93 ITGB3 (0.48) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL7640309 0.93 ITGB3 (0.38) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7640448 0.92 ITGB3 (0.38) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL7637336 0.90 ITGB3 (0.43) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL7634011 0.90 ITGB3 (0.53) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL7639270 0.90 ITGB3 (0.45) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL7639815 0.89 ITGB3 (0.50) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL7640396 0.89 ITGB3 (0.43) ITGB3ITGA2BF10PRSS1PRSS2

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