SCHEMBL17769135

SCHEMBL17769135

O=C(Cn1nnc2ccccc2c1=O)NCCc1ccccc1F

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GPR139 Q6DWJ6 14/20 0.77
▸ SMN1; SMN2 Q16637 1/20 0.73
▸ GAA P10253 2/20 0.72
▸ L3MBTL1 Q9Y468 1/20 0.72
▸ ALDH1A1 P00352 1/20 0.66
▸ POLB P06746 1/20 0.56
▸ RAB9A P51151 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53

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
SCHEMBL17769143 0.88 GPR139 (0.71) GPR139SMN1; SMN2GAAL3MBTL1ALDH1A1
SCHEMBL17769074 0.84 SMN1; SMN2 (1.00) GPR139SMN1; SMN2GAAL3MBTL1ALDH1A1
SCHEMBL17767038 0.84 GPR139 (1.00) GPR139SMN1; SMN2GAAL3MBTL1ALDH1A1
SCHEMBL17766950 0.82 GPR139 (0.67) GPR139SMN1; SMN2GAAL3MBTL1POLB
SCHEMBL17767090 0.81 GPR139 (0.85) GPR139SMN1; SMN2GAAL3MBTL1ALDH1A1
SCHEMBL17767205 0.80 GPR139 (1.00) GPR139SMN1; SMN2GAAL3MBTL1ALDH1A1
SCHEMBL17766917 0.80 GPR139 (1.00) GPR139SMN1; SMN2GAAL3MBTL1ALDH1A1
SCHEMBL17767151 0.79 GPR139 (1.00) GPR139SMN1; SMN2GAAL3MBTL1ALDH1A1
SCHEMBL17767008 0.78 SMN1; SMN2 (0.81) GPR139SMN1; SMN2GAAL3MBTL1ALDH1A1
SCHEMBL17767085 0.78 GPR139 (1.00) GPR139SMN1; SMN2GAAL3MBTL1ALDH1A1

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
EP-3221298-A1 4-OXO-3,4-DIHYDRO-1,2,3-BENZOTRIAZINES AS MODULATORS OF GPR139 Takeda Pharmaceutical Company Limited (JP) 2017-09-27 — — EP disclosed
WO-2016081736-A1 4-OXO-3,4-DIHYDRO-1,2,3-BENZOTRIAZINES AS MODULATORS OF GPR139 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-05-26 — — WO disclosed
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