SCHEMBL7633684

SCHEMBL7633684

CC(C(=O)OCc1ccccc1)N1CCN(CC2CN(c3ccc(C(=N)NC(=O)c4ccco4)cc3)C(=O)O2)CC1.CS(=O)(=O)OCC1CN(c2ccc(C(=N)NC(=O)c3ccco3)cc2)C(=O)O1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.38
ITGA2B P08514 10/20 0.38
SIGMAR1 Q99720 3/20 0.36
PRSS1 P07477 9/20 0.34
PRSS2 P07478 9/20 0.34
PRSS3 P35030 9/20 0.34
LMNA P02545 3/20 0.34
MAPT P10636 2/20 0.34
F10 P00742 6/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPK1 P28482 1/20 0.34
F2 P00734 1/20 0.33
HTR2B P41595 1/20 0.33
GRM2 Q14416 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
SCHEMBL7633578 0.94 ITGB3 (0.44) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL7639774 0.94 ITGB3 (0.41) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL6600608 0.94 ITGB3 (0.43) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL7634336 0.92 ITGB3 (0.39) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL7639748 0.92 ITGB3 (0.42) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL7637785 0.92 ITGB3 (0.41) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL7634194 0.91 ITGB3 (0.38) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL7642004 0.90 ITGB3 (0.46) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL7639345 0.90 ITGB3 (0.40) ITGB3ITGA2BSIGMAR1HTR2BGRM2
SCHEMBL7640309 0.90 ITGB3 (0.38) ITGB3ITGA2BSIGMAR1PRSS1PRSS2

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