SCHEMBL7108957

SCHEMBL7108957

CC(C)(C)OC(=O)c1cc(CN)ccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 11/20 0.51
LOX P28300 3/20 0.45
GABRA1 P14867 8/20 0.42
GABRG2 P18507 8/20 0.42
GABRB3 P28472 8/20 0.42
GABRA3 P34903 8/20 0.42
GABRA2 P47869 8/20 0.42
GABRA5 P31644 7/20 0.42
GABRA6 Q16445 6/20 0.42
GABRA4 P48169 5/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRB2 P47870 1/20 0.42
GABRE P78334 1/20 0.42
GABRG1 Q8N1C3 1/20 0.42
GABRG3 Q99928 1/20 0.42
GABRQ Q9UN88 1/20 0.42
LOXL3 P58215 1/20 0.41
SMYD3 Q9H7B4 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
SCHEMBL14595539 0.85 GABRG2 (0.43) LOXL2GABRA1GABRG2GABRB3GABRA3
SCHEMBL27741183 0.85 GABRG2 (0.42) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL4441732 0.83 LOXL2 (0.55) LOXL2LOXLOXL3SMYD3
SCHEMBL3882564 0.80 GABRG2 (0.45) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL190479 0.79 SMN1; SMN2 (0.41) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL15561762 0.78 SLC7A5 (0.46) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL13105640 0.78 GABRG2 (0.46) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL3700486 0.78 GABRG2 (0.46) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL163615 0.78 GABRG2 (0.46) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL29563011 0.78 GABRG2 (0.46) GABRA1GABRG2GABRB3GABRA3GABRA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100491348-C Thrombosis resisting preparation ASTRAZENECA AB (SE) 2009-05-27 CN disclosed
CN-1515550-A Thrombosis resisting preparation 2004-07-28 CN disclosed
CN-1134264-C antithrombotic agent 2004-01-14 CN disclosed
EP-1361212-A1 Peptide derivatives as antithrombotic agents AstraZeneca AB (SE) 2003-11-12 EP disclosed
EP-0672658-B1 Antithrombotic agents ASTRAZENECA AB (SE) 2003-09-17 EP disclosed
US-5914319-A Antithrombotic agents ELI LILLY AND COMPANY (US) 1999-06-22 US disclosed
US-5726159-A PEPTIDE THROMBIN INHIBITORS ELI LILLY AND COMPANY (US) 1998-03-10 US disclosed
US-5710130-A HETEROCYCLIC SYNTHETIC PEPTIDES ELI LILLY AND COMPANY (US) 1998-01-20 US disclosed
US-5707966-A Antithrombotic agents ELI LILLY AND COMPANY (US) 1998-01-13 US disclosed
US-5705487-A PEPTIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1998-01-06 US disclosed
CN-1147205-A antithrombotic agent LILLY CO ELI (US) 1997-04-09 CN disclosed
EP-0672658-A1 Antithrombotic agents ELI LILLY AND COMPANY (US) 1995-09-20 EP disclosed
WO-1995023609-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1995-09-08 WO disclosed