SCHEMBL7782353

SCHEMBL7782353

N=C(N)c1ccc(N2CCN(c3ccc(OCC(=O)O)cc3)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 1.00
ITGA2B P08514 15/20 1.00
PRSS1 P07477 3/20 0.61
F2 P00734 2/20 0.61
PRSS2 P07478 2/20 0.61
PRSS3 P35030 2/20 0.61
TMPRSS6 Q8IU80 2/20 0.61
ST14 Q9Y5Y6 2/20 0.61
GRIN2D O15399 1/20 0.56
GRIN3B O60391 1/20 0.56
GRIN1 Q05586 1/20 0.56
GRIN2A Q12879 1/20 0.56
GRIN2B Q13224 1/20 0.56
GRIN2C Q14957 1/20 0.56
GRIN3A Q8TCU5 1/20 0.56
ALOX15 P16050 1/20 0.53
ENPP2 Q13822 1/20 0.52

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
SCHEMBL7122825 0.87 ITGB3 (0.75) ITGB3ITGA2BPRSS1F2PRSS2
SCHEMBL7274743 0.85 ITGB3 (0.74) ITGB3ITGA2BPRSS1F2
Hydrochloric Acid SCHEMBL8040370 0.85 ITGB3 (0.73) ITGB3ITGA2BPRSS1F2PRSS2
SCHEMBL7316277 0.82 ITGB3 (0.70) ITGB3ITGA2BPRSS1F2PRSS2
SCHEMBL8410645 0.82 ITGB3 (0.69) ITGB3ITGA2BPRSS1F2PRSS2
SCHEMBL8407198 0.82 ITGB3 (0.69) ITGB3ITGA2BPRSS1F2PRSS2
SCHEMBL7315288 0.81 ITGB3 (0.68) ITGB3ITGA2BPRSS1F2PRSS2
SCHEMBL7291480 0.80 ITGB3 (0.66) ITGB3ITGA2BPRSS1F2PRSS2
SCHEMBL14922315 0.80 ITGB3 (0.66) ITGB3ITGA2BENPP2
SCHEMBL7282886 0.78 ITGB3 (0.65) ITGB3ITGA2BPRSS1F2PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0849261-B1 Piperazinophenyl- and piperazinophenyloxy-carboxylic acid derivatives as well as processes and intermediates for their preparation and medicaments containing these compounds SOLVAY PHARM GMBH (DE) 2001-10-04 EP claimed
EP-0849261-A1 Piperazinophenyl- and piperazinophenyloxy-carboxylic acid derivatives as well as processes and intermediates for their preparation and medicaments containing these compounds Solvay Pharmaceuticals GmbH (DE) 1998-06-24 EP claimed
JP-10182624-A None JP disclosed
EP-0849261-B1 Piperazinophenyl- and piperazinophenyloxy-carboxylic acid derivatives as well as processes and intermediates for their preparation and medicaments containing these compounds SOLVAY PHARM GMBH (DE) 2001-10-04 EP disclosed
JP-H10182624-A PIPERAZINOPHENYL-AND PIPERAZINOPHENYLOXY-CARBOXYLIC ACID DERIVATIVE, ITS PRODUCTION PROCESS, PRODUCTION INTERMEDIATE AND ANTITHROMBOGENIC AND PLATELET AGGREGATION SUPPRESSING AGENT CONTAINING THE DERIVATIVE SOLVAY PHARMACEUT GMBH 1998-07-07 JP disclosed
EP-0849261-A1 Piperazinophenyl- and piperazinophenyloxy-carboxylic acid derivatives as well as processes and intermediates for their preparation and medicaments containing these compounds Solvay Pharmaceuticals GmbH (DE) 1998-06-24 EP disclosed