SCHEMBL7375776

SCHEMBL7375776

O=C(O)C1Cc2ccccc2N1.O=C(O)N1CCC2C=CC=CC2C1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.59
MAPT P10636 1/20 0.59
MME P08473 5/20 0.34
ACE P12821 3/20 0.34
SMYD3 Q9H7B4 1/20 0.34
HTR2A P28223 3/20 0.34
HTR1A P08908 2/20 0.34
DRD3 P35462 2/20 0.34
MAPK14 Q16539 1/20 0.33
RAB9A P51151 1/20 0.32
ITGA4 P13612 1/20 0.31
ITGB7 P26010 1/20 0.31
HTR2C P28335 1/20 0.31
HRH1 P35367 1/20 0.31
HTR2B P41595 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
SCHEMBL14003020 0.77 GAA (1.00) GAAMAPTMMEACESMYD3
SCHEMBL91080 0.77 GAA (1.00) GAAMAPTMMEACESMYD3
SCHEMBL1134239 0.77 GAA (1.00) GAAMAPTMMEACESMYD3
SCHEMBL29365197 0.77 GAA (1.00) GAAMAPTMMEACESMYD3
SCHEMBL29495388 0.77 GAA (1.00) GAAMAPTMMEACESMYD3
SCHEMBL926388 0.77 GAA (1.00) GAAMAPTMMEACESMYD3
Water SCHEMBL27677887 0.76 GAA (0.90) GAAMAPTMMEACESMYD3
Hydrochloric Acid SCHEMBL2521110 0.75 GAA (0.96) GAAMAPTMMEACESMYD3
Hydrochloric Acid SCHEMBL2521107 0.75 GAA (0.96) GAAMAPTMMEACESMYD3
Hydrochloric Acid SCHEMBL4649258 0.75 GAA (0.96) GAAMAPTMMEACESMYD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0793674-B1 HUMAN NEUTROPHIL ELASTASE INHIBITORS CORTECH INC (US) 2000-05-24 EP claimed
EP-0793674-A1 HUMAN NEUTROPHIL ELASTASE INHIBITORS CORTECH, INC. (US) 1997-09-10 EP claimed
WO-1996016080-A1 HUMAN NEUTROPHIL ELASTASE INHIBITORS CORTECH, INC. (US) 1996-05-30 WO claimed