SCHEMBL4385449

SCHEMBL4385449

C[C@H](N)c1ccc2c(c1)ncn2-c1cccc(-c2ccccc2OC(N)=O)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
FGFR1 P11362 7/20 0.43
HPGD P15428 5/20 0.42
SIK1 P57059 2/20 0.39
SIK2 Q9H0K1 2/20 0.39
SIK3 Q9Y2K2 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 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
SCHEMBL4381630 1.00 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1617117 0.87 FGFR1 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1617202 0.87 FGFR1 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1615457 0.87 FGFR1 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4543867 0.85 FGFR1 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1616676 0.85 FGFR1 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1617194 0.85 FGFR1 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1616106 0.84 FGFR1 (0.48) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1617252 0.84 FGFR1 (0.48) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1617270 0.84 SCN9A (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3

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-1996556-B1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH AS (DK) 2009-11-18 EP claimed