SCHEMBL29067199

SCHEMBL29067199

CCC(Cc1ccccn1)c1ccc(C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 1/20 0.46
▸ GRIN3B O60391 1/20 0.46
▸ GRIN1 Q05586 1/20 0.46
▸ GRIN2A Q12879 1/20 0.46
▸ GRIN2B Q13224 1/20 0.46
▸ GRIN2C Q14957 1/20 0.46
▸ GRIN3A Q8TCU5 1/20 0.46
▸ SYK P43405 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ FDPS P14324 1/20 0.41
▸ PTPRA P18433 1/20 0.41
▸ AURKB Q96GD4 1/20 0.41
▸ INCENP Q9NQS7 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ TRPM8 Q7Z2W7 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ KEAP1 Q14145 1/20 0.39

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
SCHEMBL29067198 0.86 GRIN2D (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29067200 0.84 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29067192 0.83 NPC1 (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29067188 0.83 NPC1 (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29067187 0.83 GRIN2D (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29067184 0.83 ALDH1A1 (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29067185 0.82 GRIN2D (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29067191 0.82 NPC1 (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29067186 0.82 ALDH1A1 (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11736753 0.81 GRIN2D (0.54) 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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