SCHEMBL4734633

SCHEMBL4734633

CC(N)N(CN)CC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.38
GABRD O14764 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRB1 P18505 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA2 P47869 2/20 0.38
GABRB2 P47870 2/20 0.38
GABRA4 P48169 2/20 0.38
GABRE P78334 2/20 0.38
GABRA6 Q16445 2/20 0.38
GABRG1 Q8N1C3 2/20 0.38
GABRG3 Q99928 2/20 0.38
GABRQ Q9UN88 2/20 0.38
CACNA2D1 P54289 2/20 0.33
GABRR1 P24046 2/20 0.33
CACNB3 P54284 1/20 0.33
CACNA1C Q13936 1/20 0.33

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
SCHEMBL3844414 0.88 GABRP (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4629162 0.82 GABRP (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL124790 0.75 TDP1 (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1049789 0.75 KMT2A (0.34) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5271897 0.74 GABRP (0.39) GABRPGABRDGABRA1GABRB1GABRG2
Hydrochloric Acid SCHEMBL4943209 0.74 KMT2A (0.33) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10891571 0.73 TDP1 (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1470203 0.73 TDP1 (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10894055 0.73 TDP1 (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10888561 0.73 TDP1 (0.38) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008077194-A1 RECEPTOR AGONISTS XENOME LTD (AU) 2008-07-03 WO disclosed