SCHEMBL19999901

SCHEMBL19999901

C#CCOc1cc(C#N)ccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.38
MAOB P27338 6/20 0.37
MAOA P21397 4/20 0.37
ACHE P22303 1/20 0.37
GSTP1 P09211 1/20 0.37
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MGLL Q99685 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CYP2D6 P10635 2/20 0.33
DPP4 P27487 1/20 0.33

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
SCHEMBL9136511 0.79 GRM5 (0.36) GRM5CYP11B1CYP11B2MGLLCLK4
SCHEMBL4930416 0.79 GABRG2 (0.49) GRM5CYP11B1CYP11B2MGLLCLK4
SCHEMBL7920952 0.76 HCRTR1 (0.40) GRM5CYP11B1CYP11B2MGLLCLK4
SCHEMBL30939092 0.75 GRM5 (0.43) GRM5MAOBCYP11B1CYP11B2MGLL
SCHEMBL22637463 0.75 MGLL (0.39) GRM5CYP11B1CYP11B2MGLLCLK4
SCHEMBL13571312 0.75 NUDT1 (0.46) GRM5CYP11B1CYP11B2MGLLCLK4
SCHEMBL3159478 0.75 HCRTR2 (0.45) GRM5CYP11B1CYP11B2MGLLCYP2D6
SCHEMBL22637601 0.75 SLC6A2 (0.46) MGLLCYP2D6DPP4DPP8DPP9
SCHEMBL7320740 0.75 ACACB (0.47) GRM5CYP11B1CYP11B2HSD17B10CYP2D6
SCHEMBL17276076 0.75 ACACB (0.47) GRM5CYP11B1CYP11B2HCRTR1HCRTR2

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
US-20180198157-A1 NON-AQUEOUS ELECTROLYTE ADDITIVE, AND NON-AQUEOUS ELECTROLYTE FOR LITHIUM SECONDARY BATTERY COMPRISING THE SAME AND LITHIUM SECONDARY BATTERY LG CHEM, LTD. (KR) 2018-07-12 US disclosed
US-20180198157-A1 NON-AQUEOUS ELECTROLYTE ADDITIVE, AND NON-AQUEOUS ELECTROLYTE FOR LITHIUM SECONDARY BATTERY COMPRISING THE SAME AND LITHIUM SECONDARY BATTERY LG CHEM, LTD. (KR) 2018-07-12 US disclosed
EP-3300157-A2 NON-AQUEOUS ELECTROLYTE ADDITIVE, NON-AQUEOUS ELECTROLYTE CONTAINING SAME FOR LITHIUM SECONDARY BATTERY, AND LITHIUM SECONDARY BATTERY LG Chem, Ltd. (KR) 2018-03-28 EP disclosed