SCHEMBL28538786

SCHEMBL28538786

CCOC(Cc1ccccn1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 1/20 0.54
▸ GRIN3B O60391 1/20 0.54
▸ GRIN1 Q05586 1/20 0.54
▸ GRIN2A Q12879 1/20 0.54
▸ GRIN2B Q13224 1/20 0.54
▸ GRIN2C Q14957 1/20 0.54
▸ GRIN3A Q8TCU5 1/20 0.54
▸ PTPRA P18433 1/20 0.49
▸ SLC6A4 P31645 3/20 0.43
▸ FDPS P14324 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ SLC6A2 P23975 3/20 0.41
▸ FFAR1 O14842 1/20 0.39
▸ PLK1 P53350 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL10533809 0.75 PPARG (0.46) SLC6A4SLC6A2
SCHEMBL8775735 0.75 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30785062 0.75 GRIN2D (0.69) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11603362 0.75 GRIN2D (0.69) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10087892 0.74 GRIN2D (0.62) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3408278 0.73 LMNA (0.46) SLC6A4SLC6A2FFAR1ALDH1A1CYP1A2
SCHEMBL27389987 0.73 LMNA (0.46) SLC6A4SLC6A2FFAR1ALDH1A1CYP1A2
SCHEMBL20278797 0.72 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4616267 0.72 PTPRA (0.47) PTPRAFDPSKDM4ESLC6A2ALDH1A1
SCHEMBL28538787 0.71 KCNA5 (0.45) SLC6A4KDM4ESLC6A2FFAR1ALDH1A1

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
CN-107529803-B Flavor modulator containing pyridine derivative or its salt as active ingredient 长谷川香料株式会社 2021-03-30 — — CN disclosed
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