SCHEMBL8968655

SCHEMBL8968655

N=c1c2cc(Br)cc(Br)c2nc2n1CCCC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.51
GRIN1 Q05586 3/20 0.42
GRIN2A Q12879 3/20 0.42
BCHE P06276 2/20 0.42
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
PRNP P04156 2/20 0.40
RXFP1 Q9HBX9 2/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
PPARG P37231 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NR2E3 Q9Y5X4 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
PI4KA P42356 1/20 0.38
PI4K2B Q8TCG2 1/20 0.38
PI4K2A Q9BTU6 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
NPC1 O15118 1/20 0.37

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
SCHEMBL8969634 0.99 ACHE (0.53) ACHEGRIN1GRIN2ABCHELMNA
SCHEMBL8968919 0.80 ACHE (0.48) ACHEBCHELMNAMAPTALOX15
SCHEMBL8969481 0.79 ACHE (0.50) ACHEBCHELMNAMAPTALOX15
SCHEMBL8968524 0.77 ACHE (0.58) ACHEGRIN1GRIN2ABCHEALOX15
SCHEMBL8969021 0.77 ACHE (0.48) ACHELMNAMAPTHTTNPC1
SCHEMBL8968236 0.77 ACHE (0.51) ACHELMNAMAPTPI4KAPI4K2B
SCHEMBL8969258 0.77 ACHE (0.60) ACHEBCHELMNAALOX15NPC1
SCHEMBL8968581 0.76 ACHE (0.60) ACHEGRIN1GRIN2ABCHESMN1; SMN2
SCHEMBL8968768 0.76 ACHE (0.50) ACHELMNAMAPTHTTNPC1
SCHEMBL8969799 0.76 ACHE (0.53) ACHELMNAMAPTTSHRPI4KA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5486512-A LEARNING ENHANCEMENT WARNER-LAMBERT COMPANY (US) 1996-01-23 US disclosed
WO-1993003034-A1 QUINAZOLINE DERIVATIVES AS ACETYLCHOLINESTERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1993-02-18 WO disclosed