SCHEMBL8969302

SCHEMBL8969302

CNC(=O)Oc1ccc2c(c1Cl)CN1CCCCCC1=N2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 16/20 0.50
MAOA P21397 2/20 0.39
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
LMNA P02545 2/20 0.34
BCHE P06276 1/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL8969665 0.99 ACHE (0.48) ACHEMAOAPDE3BPDE3ALMNA
SCHEMBL8969539 0.85 ACHE (0.43) ACHE
SCHEMBL8969694 0.82 ACHE (0.46) ACHEMAOALMNABCHEHRH3
SCHEMBL8969525 0.81 ACHE (0.45) ACHEMAOALMNABCHEHRH3
SCHEMBL8969163 0.79 ACHE (0.50) ACHEMAOALMNABCHEHRH3
SCHEMBL8968558 0.77 ACHE (0.48) ACHEMAOALMNABCHEHRH3
SCHEMBL8969663 0.76 ACHE (0.56) ACHEPDE3BPDE3ALMNABCHE
SCHEMBL8968764 0.75 ACHE (0.63) ACHELMNABCHETP53HRH3
SCHEMBL8968737 0.75 ACHE (0.70) ACHEPDE3BPDE3ALMNABCHE
SCHEMBL8969195 0.75 ACHE (0.54) ACHEPDE3BPDE3ALMNABCHE

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