SCHEMBL8019233

SCHEMBL8019233

O=C(O)c1ncn2c1CNCc1ccccc1-2

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 6/20 0.38
GABRB3 P28472 6/20 0.38
GABRA3 P34903 2/20 0.38
MYC P01106 1/20 0.35
GABRA5 P31644 5/20 0.35
GABRA1 P14867 1/20 0.35
GABRA2 P47869 1/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL8019235 0.82 GABRG2 (0.37) GABRG2GABRB3GABRA3GABRA5GABRA1
SCHEMBL8030562 0.82 GABRG2 (0.39) GABRG2GABRB3GABRA3GABRA5GABRA1
SCHEMBL13002475 0.81 GABRG2 (0.57) GABRG2GABRB3GABRA3GABRA5GABRA1
Trifluoroacetic Acid SCHEMBL3765321 0.79 GABRG2 (0.52) GABRG2GABRB3GABRA3GABRA5GABRA1
SCHEMBL8028116 0.78 GABRG2 (0.32) GABRG2GABRB3GABRA3
SCHEMBL13002478 0.77 NOTUM (0.40) MYCPKMTSHR
SCHEMBL13059442 0.77 GABRG2 (0.45) GABRG2GABRB3GABRA3GABRA5GABRA1
SCHEMBL9263923 0.75 GABRG2 (0.42) GABRG2GABRB3GABRA3MYCGABRA5
SCHEMBL12196276 0.74 GABRG2 (0.32) GABRG2GABRB3GABRA3GABRA5GABRA1
SCHEMBL1311760 0.69 GABRG2 (0.42) GABRG2GABRB3GABRA3MYCGABRA5

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-2250157-B1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC LTD (IN) 2014-11-05 EP disclosed
US-8455479-B2 Heterocyclic compounds PANACEA BIOTEC LIMITED (IN) 2013-06-04 US disclosed
WO-2009093269-A1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC LIMITED (IN) 2009-07-30 WO disclosed