SCHEMBL4633329

SCHEMBL4633329

CSC1=N[C@@H](C(=O)O)CN1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRR1 P24046 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRE P78334 1/20 0.34
GABRA6 Q16445 1/20 0.34
GABRG1 Q8N1C3 1/20 0.34
GABRG3 Q99928 1/20 0.34
GABRQ Q9UN88 1/20 0.34
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL4633325 1.00 GABRP (0.34) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1558822 0.74
SCHEMBL3592245 0.70 RNPEP (0.30)
SCHEMBL11788692 0.69
Hydrochloric Acid SCHEMBL11789748 0.68 GABRA1 (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7108981 0.63 NISCH (0.39) ALDH1A1
SCHEMBL5902247 0.63
SCHEMBL5902243 0.63
SCHEMBL8427654 0.60 TAAR1 (0.44)
SCHEMBL844981 0.59 GABRP (0.31) GABRPGABRDGABRA1GABRB1GABRG2

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
EP-1930335-A1 Cephalosporines having cyclic aminoguanidine substituents as Antibiotics Nabriva Therapeutics AG (AT) 2008-06-11 EP disclosed
US-6440957-B1 Cephalosporines having cyclic aminoguanidine substituents as antibiotics BIOCHEMIE GESELLSCHAFT M.B.H. (AT) 2002-08-27 US disclosed
EP-1082326-A1 CEPHALOSPORINES HAVING CYCLIC AMINOGUANIDINE SUBSTITUENTS AS ANTIBIOTICS BIOCHEMIE Gesellschaft m.b.H. (AT) 2001-03-14 EP disclosed
WO-1999048896-A1 CEPHALOSPORINES HAVING CYCLIC AMINOGUANIDINE SUBSTITUENTS AS ANTIBIOTICS BIOCHEMIE GESELLSCHAFT MBH (AT) 1999-09-30 WO disclosed