SCHEMBL8768353

SCHEMBL8768353

O=C(O)c1ncn2c1C1CCN1C(=O)c1c(Cl)cccc1-2

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.52
GABRG2 P18507 5/20 0.52
GABRB3 P28472 5/20 0.52
GABRA5 P31644 5/20 0.52
GABRA3 P34903 5/20 0.52
GABRA2 P47869 4/20 0.52
GABRA6 Q16445 3/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL7433706 1.00 GABRA1 (0.52) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7328484 0.94 GABRG2 (0.59) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7397158 0.90 GABRA1 (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8871158 0.88 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10815952 0.87 GABRA1 (0.52) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7394197 0.87 GABRG2 (0.67) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10808790 0.87 GABRA1 (0.52) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10670013 0.87 GABRA1 (0.54) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7387921 0.85 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7384886 0.85 GABRA1 (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-0451626-B1 The use of benzodiazepine compounds for preparing a pharmaceutical composition against CNS disorders related to the excitatory aminoacids NEUROSEARCH AS (DK) 1997-09-10 EP claimed