SCHEMBL8970053

SCHEMBL8970053

N=c1c2c(Cl)cccc2nc2n1C1CC3CC(CC2C3)C1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.38
PARP1 P09874 1/20 0.34
PIK3CD O00329 6/20 0.34
PIK3R2 O00459 5/20 0.34
PIK3CG P48736 3/20 0.34
GRIN1 Q05586 4/20 0.32
GRIN2A Q12879 4/20 0.32
BCHE P06276 3/20 0.32
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
KMT2A Q03164 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31

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
SCHEMBL8969422 0.85 HRH4 (0.34) ACHEPARP1GRIN1GRIN2ABCHE
SCHEMBL8969453 0.84 ACHE (0.45) ACHEPARP1PIK3CDPIK3CGBCHE
SCHEMBL8968293 0.84
SCHEMBL8968188 0.84 ACHE (0.32) ACHE
SCHEMBL8968897 0.84 BCHE (0.31) ACHEBCHE
SCHEMBL8969011 0.82
SCHEMBL8969462 0.81 PIK3CD (0.31) PIK3CDPIK3R2
SCHEMBL8969096 0.81 XPO1 (0.36) ACHE
SCHEMBL8968606 0.79 ACHE (0.39) ACHEPARP1NPC1
SCHEMBL8969811 0.75

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