SCHEMBL8670720

SCHEMBL8670720

[CH2]CC(=O)N(C)C(CCC(=O)O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.41
GABRD O14764 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRB1 P18505 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
GABRA2 P47869 2/20 0.41
GABRB2 P47870 2/20 0.41
GABRA4 P48169 2/20 0.41
GABRE P78334 2/20 0.41
GABRA6 Q16445 2/20 0.41
GABRG1 Q8N1C3 2/20 0.41
GABRG3 Q99928 2/20 0.41
GABRQ Q9UN88 2/20 0.41
CYP1A2 P05177 2/20 0.41
TET2 Q6N021 3/20 0.38
KDM2A Q9Y2K7 3/20 0.38
KDM4A O75164 2/20 0.38

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
SCHEMBL14729307 0.81 SLC22A6 (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL18145619 0.81 SLC22A6 (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15921817 0.80 CYP1A2 (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13840850 0.80 GABRP (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL16666078 0.79 FOLH1 (0.45) GABRPGABRDGABRA1GABRB1GABRG2
Ammonia Solution, Strong SCHEMBL17162177 0.79 CYP1A2 (0.45) GABRPGABRDGABRA1GABRB1GABRG2
Ammonia Solution, Strong SCHEMBL17162179 0.79 CYP1A2 (0.45) GABRPGABRDGABRA1GABRB1GABRG2
Ammonia Solution, Strong SCHEMBL17162178 0.79 CYP1A2 (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL18030268 0.77 GRM8 (0.60) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9085219 0.77 GRM8 (0.60) 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
US-5747499-A CYCLOPENTAQUINAZOLINE COMPOUNDS CYCLOPENTAQUINAZOLINE COMPOUNDS BRITISH TECHNOLOGY GROUP LIMITED (GB) 1998-05-05 US disclosed