SCHEMBL4015031

SCHEMBL4015031

Cc1nc(N)ccc1CC(CS)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 1/20 0.53
GABRP O00591 1/20 0.45
GABRD O14764 1/20 0.45
GABRA1 P14867 1/20 0.45
GABRB1 P18505 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
GABRA2 P47869 1/20 0.45
GABRB2 P47870 1/20 0.45
GABRA4 P48169 1/20 0.45
GABRE P78334 1/20 0.45
GABRA6 Q16445 1/20 0.45
GABRG1 Q8N1C3 1/20 0.45
GABRG3 Q99928 1/20 0.45
GABRQ Q9UN88 1/20 0.45
CPA3 P15088 1/20 0.45
FOLH1 Q04609 1/20 0.45
KLKB1 P03952 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
SCHEMBL4628266 0.80 CPB2 (0.56) CPB2GABRPGABRDGABRA1GABRB1
SCHEMBL25410695 0.73 GABRP (0.55) CPB2GABRPGABRDGABRA1GABRB1
SCHEMBL4005845 0.72 CPB2 (0.55) CPB2GABRPGABRDGABRA1GABRB1
SCHEMBL27542509 0.72 GABRP (0.46) CPB2GABRPGABRDGABRA1GABRB1
SCHEMBL4628259 0.72 CPB2 (0.48) CPB2GABRPGABRDGABRA1GABRB1
SCHEMBL17442649 0.70 KLKB1 (0.57) CPB2GABRPGABRDGABRA1GABRB1
SCHEMBL4007106 0.70 CPB2 (0.71) CPB2GABRPGABRDGABRA1GABRB1
SCHEMBL7260019 0.70 CPB2 (0.61) CPB2GABRPGABRDGABRA1GABRB1
SCHEMBL4147975 0.69 NOS3 (0.54) CPB2GABRPGABRDGABRA1GABRB1
SCHEMBL28963852 0.68 NOS3 (0.52) CPB2GABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009082340-A1 METHOD FOR MONITORING THE PROGRESSION OF FIBRINOLYSIS'646 ASTRAZENECA AB (SE) 2009-07-02 WO disclosed
US-7071175-B1 Pyridine mercapto carboxylic acids as carboxypeptidase U inhibitors ASTRAZENECA AB (SE) 2006-07-04 US disclosed
EP-1180098-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2002-02-20 EP disclosed
WO-2000066557-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2000-11-09 WO disclosed