SCHEMBL8969834

SCHEMBL8969834

O=c1c2c(Cl)cc(Cl)cc2nc2n1C1CC3CC(CC2C3)C1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
HSD11B1 P28845 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3R2 O00459 1/20 0.31
PIK3CG P48736 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL8968897 0.85 BCHE (0.31) BCHEACHE
SCHEMBL8969115 0.80 ATM (0.36)
SCHEMBL8969363 0.75
SCHEMBL8968435 0.75
SCHEMBL8969011 0.73
SCHEMBL8970053 0.69 ACHE (0.38) BCHEACHEPIK3CDPIK3R2PIK3CG
SCHEMBL8969460 0.69 ACHE (0.42) BCHEACHE
SCHEMBL15840530 0.69 KDM4E (0.38) CYP1A2
SCHEMBL8969680 0.67 ALDH1A1 (0.33) ACHE
SCHEMBL8969797 0.67 LRRK2 (0.39) ACHE

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