SCHEMBL11111001

SCHEMBL11111001

CC(N)CNCCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.52
GABRD O14764 2/20 0.52
GABRA1 P14867 2/20 0.52
GABRB1 P18505 2/20 0.52
GABRG2 P18507 2/20 0.52
GABRB3 P28472 2/20 0.52
GABRA5 P31644 2/20 0.52
GABRA3 P34903 2/20 0.52
GABRA2 P47869 2/20 0.52
GABRB2 P47870 2/20 0.52
GABRA4 P48169 2/20 0.52
GABRE P78334 2/20 0.52
GABRA6 Q16445 2/20 0.52
GABRG1 Q8N1C3 2/20 0.52
GABRG3 Q99928 2/20 0.52
GABRQ Q9UN88 2/20 0.52
ECE1 P42892 4/20 0.41
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37

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
SCHEMBL14862103 0.88 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11230801 0.83 DPP4 (0.37) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12413734 0.82 CYP2D6 (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10924286 0.82
SCHEMBL16128281 0.82
SCHEMBL608863 0.82
SCHEMBL7179855 0.80 KDM4E (0.41) GABRPGABRDGABRA1GABRB1GABRG2
Alanine SCHEMBL7753223 0.80 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
Alanine SCHEMBL31055761 0.80 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL18814067 0.80 SLC1A3 (0.41) 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
EP-0105063-A1 Liquid hard-surface cleaner THE PROCTER & GAMBLE COMPANY (US) 1984-04-11 EP disclosed