SCHEMBL8969453

SCHEMBL8969453

N=c1c2c(F)cccc2nc2n1C1CC3CC(CC2C3)C1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.45
BCHE P06276 2/20 0.35
PARP1 P09874 1/20 0.34
CYP11B2 P19099 2/20 0.33
PIK3CD O00329 5/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31
OPRL1 P41146 3/20 0.30
OGFRL1 Q5TC84 3/20 0.30
HRH3 Q9Y5N1 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNA7 P36544 1/20 0.30
CHRNA4 P43681 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
SCHEMBL8969422 0.85 HRH4 (0.34) ACHEBCHEPARP1OPRL1OGFRL1
SCHEMBL8968188 0.84 ACHE (0.32) ACHEOPRL1OGFRL1
SCHEMBL8970053 0.84 ACHE (0.38) ACHEBCHEPARP1PIK3CDPIK3CG
SCHEMBL8969096 0.84 XPO1 (0.36) ACHEHRH3CHRNB2CHRNA4
SCHEMBL8969437 0.82 BCHE (0.35) ACHEBCHE
SCHEMBL8968293 0.76
SCHEMBL8968356 0.74
SCHEMBL8970437 0.74 MPO (0.36) ACHEBCHECYP11B2
SCHEMBL8968897 0.74 BCHE (0.31) ACHEBCHE
SCHEMBL8969011 0.72

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