SCHEMBL7338481

SCHEMBL7338481

CCOC(=O)CN(C(=O)[C@H](CC(=O)OC(C)(C)C)NS(=O)(=O)c1cccc2ccccc12)C1CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.43
NR1D1 P20393 2/20 0.38
F10 P00742 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
PLAU P00749 1/20 0.38
CNR2 P34972 1/20 0.38
CCR10 P46092 1/20 0.37
P2RX7 Q99572 2/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
SLC6A9 P48067 1/20 0.36

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
SCHEMBL8719561 0.90 F2 (0.44) F2NR1D1F10ITGB3ITGA2B
SCHEMBL7302360 0.86 ACACB (0.45) F2F10PLAU
SCHEMBL7324729 0.86 HTR6 (0.36) F2P2RX7
SCHEMBL7335977 0.85 MMP13 (0.43) F2
SCHEMBL7332989 0.84 F2 (0.47) F2F10
SCHEMBL7332615 0.83 F2 (0.49) F2F10
SCHEMBL8719583 0.83 F2 (0.48) F2F10
SCHEMBL7330308 0.82 ALDH1A1 (0.42) F2F10ITGB3ITGA2BSLC1A2
SCHEMBL7343087 0.82 EEF2K (0.40) SLC1A3SLC1A2SLC1A1
SCHEMBL8947611 0.80 CA12 (0.36) F2ITGB3ITGA2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0559046-B1 N-amidinopiperidinyl(3/4)- or N-amidino-1,4-Oxazinyl(2)-substituted sulfonamides, process for their preparation and use as thrombin inhibitors HOFFMANN LA ROCHE (CH) 2001-07-11 EP disclosed
EP-0559046-A1 N-amidinopiperidinyl(3/4)- or N-amidino-1,4-Oxazinyl(2)-substituted sulfonamides, process for their preparation and use as thrombin inhibitors F.HOFFMANN-LA ROCHE & CO. AKTIENGESELLSCHAFT (CH) 1993-09-08 EP disclosed