SCHEMBL9851353

SCHEMBL9851353

Nc1c2c(nc3cccc(Cl)c13)NCCC2

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 12/20 0.62
GRIN1 Q05586 7/20 0.62
GRIN2A Q12879 7/20 0.62
BCHE P06276 6/20 0.60
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
KMT2A Q03164 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48

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
SCHEMBL9851379 0.83 ACHE (0.62) ACHEGRIN1GRIN2ABCHE
SCHEMBL9851400 0.80 BCHE (0.63) ACHEGRIN1GRIN2ABCHEKMT2A
SCHEMBL9584574 0.77 ACHE (1.00) ACHEGRIN1GRIN2ABCHE
SCHEMBL5686225 0.77 GRIN1 (1.00) ACHEGRIN1GRIN2ABCHE
SCHEMBL9584605 0.75 BCHE (0.97) ACHEGRIN1GRIN2ABCHE
Hydrochloric Acid SCHEMBL9851368 0.74 BCHE (0.61) ACHEGRIN1GRIN2ABCHEKMT2A
SCHEMBL9851355 0.73 ACHE (0.61) ACHEGRIN1GRIN2ABCHE
SCHEMBL9584462 0.72 GRIN1 (0.66) ACHEGRIN1GRIN2ABCHEMEN1
SCHEMBL3562426 0.70 ACHE (0.61) ACHEGRIN1GRIN2ABCHEKMT2A
SCHEMBL9851350 0.69 ACHE (0.61) ACHEGRIN1GRIN2ABCHEMEN1

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
EP-0430485-A2 Quinoline compound UBE INDUSTRIES, LTD. (JP) 1991-06-05 EP claimed