SCHEMBL29067185

SCHEMBL29067185

CCC(Cc1ccccn1)c1ccc(C#N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 1/20 0.42
▸ GRIN3B O60391 1/20 0.42
▸ GRIN1 Q05586 1/20 0.42
▸ GRIN2A Q12879 1/20 0.42
▸ GRIN2B Q13224 1/20 0.42
▸ GRIN2C Q14957 1/20 0.42
▸ GRIN3A Q8TCU5 1/20 0.42
▸ FDPS P14324 1/20 0.38
▸ PTPRA P18433 1/20 0.38
▸ FFAR1 O14842 1/20 0.38
▸ ABCB1 P08183 1/20 0.37
▸ ABCG2 Q9UNQ0 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ CYP19A1 P11511 4/20 0.37
▸ HTT P42858 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL29067199 0.82 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29067198 0.81 GRIN2D (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29067188 0.78 NPC1 (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29067184 0.78 ALDH1A1 (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29067192 0.78 NPC1 (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29067186 0.77 ALDH1A1 (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29067191 0.77 NPC1 (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11736753 0.76 GRIN2D (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL16846502 0.76 CYP2A6 (0.52) CYP19A1MAPTALDH1A1
SCHEMBL29067187 0.75 GRIN2D (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-116715622-A Synthesis method of 2- (2-arylbutyl) pyridine compound 河南大学 2023-09-08 — — CN disclosed
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