SCHEMBL1665535

SCHEMBL1665535

CC(C)(C)OC(=O)c1ccc2cccccc1-2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.49
SLC6A4 P31645 3/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
BCAT2 O15382 1/20 0.46
SCN1A P35498 5/20 0.46
SCN2A Q99250 5/20 0.46
SCN3A Q9NY46 5/20 0.46
GRM6 O15303 1/20 0.44
SLC6A2 P23975 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
ACHE P22303 1/20 0.42
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41

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
SCHEMBL29389473 0.95 BCAT2 (0.52) SLC6A3SLC6A4MEN1KMT2ASMN1; SMN2
SCHEMBL9531321 0.95 BCAT2 (0.52) SLC6A3SLC6A4MEN1KMT2ASMN1; SMN2
Bromomethane SCHEMBL7011845 0.92 SLC6A3 (0.50) SLC6A3SLC6A4MEN1KMT2ASMN1; SMN2
Methylamine SCHEMBL28010440 0.92 BCAT2 (0.53) SLC6A3SLC6A4MEN1KMT2ASMN1; SMN2
SCHEMBL3558536 0.87 SLC6A3 (0.48) SLC6A3SLC6A4MEN1KMT2ASMN1; SMN2
SCHEMBL517 0.87 SLC6A3 (0.50) SLC6A3SLC6A4MEN1KMT2ASMN1; SMN2
SCHEMBL9373323 0.85 SLC6A3 (0.49) SLC6A3SLC6A4MEN1KMT2ASMN1; SMN2
SCHEMBL6900241 0.85 SLC6A3 (0.68) SLC6A3SLC6A4MEN1KMT2ASMN1; SMN2
Alanine SCHEMBL27736021 0.85 SCN1A (0.47) SLC6A3SLC6A4MEN1KMT2ASMN1; SMN2
SCHEMBL8875151 0.84 ACHE (0.48) SLC6A3SLC6A4MEN1KMT2ASCN1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2486043-A1 [18 F]- LABELLED ANALOGUES OF FLUMAZENIL AS IN VIVO IMAGING AGENTS GE Healthcare UK Limited (GB) 2012-08-15 EP disclosed
CN-102574859-A [18 F] - labelled analogues of flumazenil as in vivo imaging agents GE HEALTHCARE LTD 2012-07-11 CN disclosed
WO-2011042550-A1 [18 F] - LABELLED ANALOGUES OF FLUMAZENIL AS IN VIVO IMAGING AGENTS GE HEALTHCARE LIMITED (GB) 2011-04-14 WO disclosed