SCHEMBL7632248

SCHEMBL7632248

CC(C(=O)OC(C)(C)C)N1CCN(CC2CN(c3ccc(C(=N)NC(=O)c4cccc5ccccc45)cc3)C(=O)O2)CC1.CS(=O)(=O)OCC1CN(c2ccc(C(=N)NC(=O)c3cccc4ccccc34)cc2)C(=O)O1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.38
ITGA2B P08514 4/20 0.38
SIGMAR1 Q99720 5/20 0.34
CASR P41180 2/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PRSS1 P07477 3/20 0.32
PRSS2 P07478 3/20 0.32
PRSS3 P35030 3/20 0.32
HTR2B P41595 1/20 0.32
GRM2 Q14416 2/20 0.31
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31

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
SCHEMBL7639803 0.94 ITGB3 (0.41) ITGB3ITGA2BSIGMAR1CASRLMNA
SCHEMBL6600556 0.94 ITGB3 (0.42) ITGB3ITGA2BSIGMAR1CASRPRSS1
SCHEMBL7637336 0.93 ITGB3 (0.43) ITGB3ITGA2BSIGMAR1CASRLMNA
SCHEMBL7639408 0.91 ITGB3 (0.37) ITGB3ITGA2BSIGMAR1CASRPRSS1
SCHEMBL7640448 0.91 ITGB3 (0.38) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL7631939 0.89 ITGB3 (0.44) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL7641756 0.88 ITGB3 (0.40) ITGB3ITGA2BSIGMAR1HTR2BGRM2
SCHEMBL7633585 0.87 ITGB3 (0.38) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL6602794 0.87 ITGB3 (0.45) ITGB3ITGA2BSIGMAR1CASRPRSS1
SCHEMBL7636700 0.87 ITGB3 (0.40) 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