SCHEMBL4002365

SCHEMBL4002365

CC(S)C(Cc1ccc(N)nc1)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 11/20 1.00
CPA1 P15085 2/20 0.53
GABRP O00591 2/20 0.51
GABRD O14764 2/20 0.51
GABRA1 P14867 2/20 0.51
GABRB1 P18505 2/20 0.51
GABRG2 P18507 2/20 0.51
GABRB3 P28472 2/20 0.51
GABRA5 P31644 2/20 0.51
GABRA3 P34903 2/20 0.51
GABRA2 P47869 2/20 0.51
GABRB2 P47870 2/20 0.51
GABRA4 P48169 2/20 0.51
GABRE P78334 2/20 0.51
GABRA6 Q16445 2/20 0.51
GABRG1 Q8N1C3 2/20 0.51
GABRG3 Q99928 2/20 0.51
GABRQ Q9UN88 2/20 0.51
CPB1 P15086 9/20 0.50
ACE P12821 1/20 0.40

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
SCHEMBL4005719 1.00 CPB2 (1.00) CPB2CPA1GABRPGABRDGABRA1
SCHEMBL4012774 1.00 CPB2 (1.00) CPB2CPA1GABRPGABRDGABRA1
SCHEMBL5075309 0.87 CPB2 (0.76) CPB2CPA1GABRPGABRDGABRA1
SCHEMBL4009716 0.86 CPB2 (0.75) CPB2CPA1GABRPGABRDGABRA1
SCHEMBL18057309 0.81 CPB2 (0.68) CPB2CPA1GABRPGABRDGABRA1
SCHEMBL4509644 0.79 CPB2 (0.65) CPB2CPA1GABRPGABRDGABRA1
SCHEMBL5079022 0.79 CPB2 (0.65) CPB2CPA1GABRPGABRDGABRA1
SCHEMBL4009042 0.79 CPB2 (0.64) CPB2CPA1GABRPGABRDGABRA1
SCHEMBL4507391 0.78 CPB2 (0.63) CPB2CPA1GABRPGABRDGABRA1
SCHEMBL4510175 0.78 CPB2 (0.62) CPB2CPA1GABRPGABRDGABRA1

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