SCHEMBL31481085

SCHEMBL31481085

CN(C)CCCc1cccc(CC(N)=O)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 3/20 0.49
▸ NOS3 P29474 1/20 0.49
▸ SIGMAR1 Q99720 1/20 0.45
▸ ACHE P22303 2/20 0.44
▸ TAAR1 Q96RJ0 3/20 0.42
▸ HTR7 P34969 1/20 0.42
▸ FDPS P14324 1/20 0.41
▸ AOC3 Q16853 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ NOS2 P35228 1/20 0.40
▸ GRIN2D O15399 1/20 0.39
▸ GRIN3B O60391 1/20 0.39
▸ GRIN1 Q05586 1/20 0.39
▸ GRIN2A Q12879 1/20 0.39
▸ GRIN2B Q13224 1/20 0.39
▸ GRIN2C Q14957 1/20 0.39
▸ GRIN3A Q8TCU5 1/20 0.39
▸ TLR7 Q9NYK1 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
SCHEMBL18762842 0.83 SIGMAR1 (0.61) NOS1NOS3SIGMAR1TAAR1HTR7
SCHEMBL18798802 0.80 LMNA (0.50) NOS1ACHELMNA
SCHEMBL10339219 0.79 CA2 (0.54) LMNAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9670825 0.77 SIGMAR1 (0.70) NOS1NOS3SIGMAR1TAAR1HTR7
SCHEMBL28031258 0.77 HDAC1 (0.50) NOS1SIGMAR1AOC3LMNA
SCHEMBL1561556 0.76 CYP4F2 (0.49) NOS1NOS3LMNANOS2
SCHEMBL10750679 0.76 NOS1 (0.50) NOS1ACHEFDPSAOC3GRIN2D
SCHEMBL4633328 0.75 MAOA (0.55) NOS1NOS3SIGMAR1TAAR1HTR7
SCHEMBL5336469 0.75 DRD2 (0.57) SIGMAR1TAAR1
SCHEMBL29351393 0.74 CA2 (0.45) NOS1NOS3LMNANOS2

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
WO-2025054339-A1 TRIAZOLOPYRIDINE COMPOUNDS AS INHIBITORS OF KIT ARCUS BIOSCIENCES, INC. (US) 2025-03-13 — — WO disclosed
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