SCHEMBL4601740

SCHEMBL4601740

CCc1cc(F)cc2c1-n1cnc(C(=O)O)c1Cn1ncnc1-2

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 20/20 0.56
GABRB3 P28472 20/20 0.56
GABRA5 P31644 20/20 0.56
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRA3 P34903 1/20 0.40
GRM5 P41594 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
GABRA4 P48169 1/20 0.40
GABRE P78334 1/20 0.40
GABRA6 Q16445 1/20 0.40
GABRG1 Q8N1C3 1/20 0.40
GABRG3 Q99928 1/20 0.40
GABRQ Q9UN88 1/20 0.40

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
SCHEMBL4951018 0.88 GABRG2 (0.56) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL4950481 0.85 GABRG2 (0.58) GABRG2GABRB3GABRA5
SCHEMBL4948510 0.84 GABRG2 (0.48) GABRG2GABRB3GABRA5
SCHEMBL4946718 0.84 GABRG2 (0.47) GABRG2GABRB3GABRA5
SCHEMBL4950870 0.83 GABRG2 (0.61) GABRG2GABRB3GABRA5
SCHEMBL4946797 0.82 GABRG2 (0.48) GABRG2GABRB3GABRA5
SCHEMBL4952206 0.79 GABRG2 (0.47) GABRG2GABRB3GABRA5
SCHEMBL3570896 0.79 GABRG2 (0.74) GABRG2GABRB3GABRA5GABRPGABRD
SCHEMBL3567727 0.73 GABRG2 (0.79) GABRG2GABRB3GABRA5GABRPGABRD
SCHEMBL3884039 0.73 GABRG2 (0.76) GABRG2GABRB3GABRA5GABRA1GABRA3

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-1828194-B1 TETRACYCLIC IMIDAZO-BENZODIAZEPINES AS GABA RECEPTORS MODULATORS HOFFMANN LA ROCHE (CH) 2008-05-28 EP disclosed