SCHEMBL8968656

SCHEMBL8968656

N=c1c2cc(Cl)cc(Cl)c2nc2n1CCCCC2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.60
BCHE P06276 3/20 0.44
GRIN1 Q05586 3/20 0.44
GRIN2A Q12879 3/20 0.44
LMNA P02545 3/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
POLB P06746 1/20 0.39
TP53 P04637 3/20 0.39
MAPT P10636 2/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HSD11B1 P28845 1/20 0.38
HSD11B2 P80365 1/20 0.38
FABP3 P05413 1/20 0.38

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
SCHEMBL8969044 0.99 ACHE (0.58) ACHEBCHEGRIN1GRIN2ALMNA
SCHEMBL8968353 0.81 ACHE (0.56) ACHELMNANPC1RAB9APOLB
SCHEMBL8969172 0.79 ACHE (0.54) ACHEBCHELMNANPC1RAB9A
SCHEMBL8968510 0.78 ACHE (0.60) ACHELMNANPC1RAB9APOLB
SCHEMBL8968470 0.78 ACHE (0.64) ACHELMNANPC1RAB9APOLB
SCHEMBL8968881 0.78 ACHE (0.80) ACHEBCHEGRIN1GRIN2ALMNA
SCHEMBL8968607 0.77 ACHE (0.71) ACHELMNANPC1RAB9APOLB
SCHEMBL8969554 0.76 ACHE (0.61) ACHELMNANPC1RAB9APOLB
SCHEMBL8969210 0.76 ACHE (0.58) ACHELMNANPC1RAB9APOLB
SCHEMBL8969679 0.76 ACHE (0.78) ACHEBCHEGRIN1GRIN2ALMNA

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