SCHEMBL7639718

SCHEMBL7639718

CC(C)OC(=O)C(C)N1CCN(CC2CN(c3ccc(C(=N)NC(=O)c4cccnc4)cc3)C(=O)O2)CC1.CS(=O)(=O)OCC1CN(c2ccc(C(=N)NC(=O)c3cccnc3)cc2)C(=O)O1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.39
ITGA2B P08514 4/20 0.39
ACACB O00763 1/20 0.34
TSHR P16473 2/20 0.34
ALDH1A1 P00352 1/20 0.34
SIGMAR1 Q99720 6/20 0.33
PRSS1 P07477 3/20 0.33
PRSS2 P07478 3/20 0.33
PRSS3 P35030 3/20 0.33
PTGDR Q13258 1/20 0.33
F10 P00742 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32

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
SCHEMBL7640396 0.94 ITGB3 (0.43) ITGB3ITGA2BACACBSIGMAR1PRSS1
SCHEMBL6602220 0.93 ITGB3 (0.43) ITGB3ITGA2BACACBSIGMAR1PRSS1
SCHEMBL7634173 0.93 ITGB3 (0.41) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL7633585 0.92 ITGB3 (0.38) ITGB3ITGA2BACACBTSHRALDH1A1
SCHEMBL7638254 0.91 ITGB3 (0.37) ITGB3ITGA2BTSHRALDH1A1SIGMAR1
SCHEMBL7640299 0.91 ITGB3 (0.43) ITGB3ITGA2BACACBTSHRALDH1A1
SCHEMBL7633503 0.89 ITGB3 (0.45) ITGB3ITGA2BSIGMAR1
SCHEMBL7639286 0.89 ITGB3 (0.39) ITGB3ITGA2BALDH1A1SIGMAR1PRSS1
SCHEMBL7639857 0.88 ITGB3 (0.40) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL6602426 0.88 ITGB3 (0.46) ITGB3ITGA2BACACBSIGMAR1PRSS1

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