SCHEMBL9294337

SCHEMBL9294337

O=C(O)C1CCN1.O=C(O)C1Cc2ccccc2N1

nearest known ligand 0.81

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.81
MAPT P10636 1/20 0.81
MME P08473 10/20 0.42
ACE P12821 5/20 0.42
SMYD3 Q9H7B4 1/20 0.40
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL91080 0.90 GAA (1.00) GAAMAPTMMEACESMYD3
SCHEMBL29495388 0.90 GAA (1.00) GAAMAPTMMEACESMYD3
SCHEMBL926388 0.90 GAA (1.00) GAAMAPTMMEACESMYD3
SCHEMBL29365197 0.90 GAA (1.00) GAAMAPTMMEACESMYD3
SCHEMBL14003020 0.90 GAA (1.00) GAAMAPTMMEACESMYD3
SCHEMBL1134239 0.90 GAA (1.00) GAAMAPTMMEACESMYD3
Hydrochloric Acid SCHEMBL4649258 0.89 GAA (0.96) GAAMAPTMMEACESMYD3
Hydrochloric Acid SCHEMBL2521110 0.89 GAA (0.96) GAAMAPTMMEACESMYD3
Hydrochloric Acid SCHEMBL2521107 0.89 GAA (0.96) GAAMAPTMMEACESMYD3
SCHEMBL27571214 0.89 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-0564561-A4 PEPTIDES KETOAMIDES, KETOACIDS, AND KETOESTERS GEORGIA TECH RES INST (US) 1994-08-10 EP claimed
EP-0564561-A1 PEPTIDES KETOAMIDES, KETOACIDS, AND KETOESTERS GEORGIA TECH RESEARCH CORPORATION (US) 1993-10-13 EP claimed
WO-1992012140-A1 PEPTIDES KETOAMIDES, KETOACIDS, AND KETOESTERS GEORGIA TECH RESEARCH CORPORATION (US) 1992-07-23 WO claimed