SCHEMBL4310933

SCHEMBL4310933

O=C(O)CN(C(=O)C(=O)c1c[nH]c2cc(F)ccc12)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
GABRA4 P48169 1/20 0.42
GABRE P78334 1/20 0.42
GABRA6 Q16445 1/20 0.42
GABRG1 Q8N1C3 1/20 0.42
GABRG3 Q99928 1/20 0.42
GABRQ Q9UN88 1/20 0.42
HAT1 O14929 3/20 0.42
EP300 Q09472 3/20 0.42
TDO2 P48775 2/20 0.41
TSHR P16473 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
SCHEMBL4313656 0.86 TDP1 (0.51) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL4311420 0.83 MAPT (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3944224 0.77 DRD2 (0.48) KDM4EMC4RMC5RMC3R
SCHEMBL1558981 0.75 TDO2 (0.55) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3120950 0.74 ALDH1A1 (0.40) TDO2TSHR
SCHEMBL3950315 0.74 ALDH1A1 (0.39) TDO2
SCHEMBL2818109 0.73 KDM4E (0.66) TDO2TSHRKDM4EGPR84
SCHEMBL30417250 0.73 KDM4E (0.66) TDO2TSHRKDM4EGPR84
SCHEMBL4320457 0.73 MAPT (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4302329 0.72 ACHE (0.42) GABRA1GABRB1GABRA3GABRB2HAT1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009133387-A1 INDOLE- 3 -GLYOXYLAMIDE DERIVATIVES FOR USE AS CALCIUM ION CHANNEL MODULATORS LECTUS THERAPEUTICS LIMITED (GB) 2009-11-05 WO claimed
WO-2009133387-A1 INDOLE- 3 -GLYOXYLAMIDE DERIVATIVES FOR USE AS CALCIUM ION CHANNEL MODULATORS LECTUS THERAPEUTICS LIMITED (GB) 2009-11-05 WO disclosed