SCHEMBL28449459

SCHEMBL28449459

CCOC(=O)c1c(C)nc2cccc(OCC(C)N)c2c1N

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.46
GABRD O14764 2/20 0.46
GABRA1 P14867 2/20 0.46
GABRB1 P18505 2/20 0.46
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
GABRA5 P31644 2/20 0.46
GABRA3 P34903 2/20 0.46
GABRA2 P47869 2/20 0.46
GABRB2 P47870 2/20 0.46
GABRA4 P48169 2/20 0.46
GABRE P78334 2/20 0.46
GABRA6 Q16445 2/20 0.46
GABRG1 Q8N1C3 2/20 0.46
GABRG3 Q99928 2/20 0.46
GABRQ Q9UN88 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.43

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
SCHEMBL28451675 1.00 GABRP (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28449457 1.00 GABRP (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL621097 0.92 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL27908217 0.92 GABRP (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28454839 0.92 GABRP (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28459740 0.90 GABRP (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL27891332 0.90 GABRP (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL621011 0.89 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL618858 0.88 TP53 (0.41) MEN1KMT2ALMNATP53HSD17B10
SCHEMBL619127 0.85 GABRP (0.48) 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
CN-106107406-B Methods of improving the stability of sweetness enhancers and compositions comprising stable sweetness enhancers 弗门尼舍公司 2020-06-09 CN disclosed