SCHEMBL4008092

SCHEMBL4008092

CC(C1CCNCC1)C(CS)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 5/20 0.59
CPB2 Q96IY4 5/20 0.59
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
TSHR P16473 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA4 P48169 1/20 0.35
GABRE P78334 1/20 0.35
PMP22 Q01453 1/20 0.35
GABRA6 Q16445 1/20 0.35
GABRG1 Q8N1C3 1/20 0.35
GABRG3 Q99928 1/20 0.35
GABRQ Q9UN88 1/20 0.35

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
SCHEMBL27542658 0.77 CPN1 (0.50) CPN1CPB2GABRPGABRDGABRA1
SCHEMBL2353967 0.74 CPN1 (1.00) CPN1CPB2GABRPGABRDGABRA1
SCHEMBL2951918 0.71 CPN1 (0.52) CPN1CPB2GABRPGABRDGABRA1
SCHEMBL22295980 0.70 CPN1 (0.41) CPN1CPB2GABRPGABRDGABRA1
Hydrochloric Acid SCHEMBL3159633 0.70 CPN1 (0.50) CPN1CPB2GABRPGABRDGABRA1
Bicarbonate SCHEMBL28072717 0.69 CPN1 (0.48) CPN1CPB2GABRPGABRDGABRA1
SCHEMBL28301973 0.68 CPN1 (0.48) CPN1CPB2GABRPGABRDGABRA1
SCHEMBL4991489 0.68 ALDH1A1 (0.40) PMP22
Bicarbonate SCHEMBL28323252 0.67 CPN1 (0.47) CPN1CPB2GABRPGABRDGABRA1
Bicarbonate SCHEMBL28072663 0.67 CPN1 (0.47) CPN1CPB2GABRPGABRDGABRA1

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