SCHEMBL8969174

SCHEMBL8969174

O=C1CCCC2=Nc3cc(Cl)cc(Cl)c3CN2C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.43
KLK7 P49862 1/20 0.34
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
PDE2A O00408 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
P2RY12 Q9H244 1/20 0.32
BCHE P06276 1/20 0.31
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
CYP3A4 P08684 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
SCHEMBL8968233 0.82 ACHE (0.57) ACHEKLK7MEN1KMT2ABCHE
SCHEMBL8969421 0.81 ACHE (0.63) ACHEKLK7MEN1KMT2ABCHE
Hydrochloric Acid SCHEMBL8969536 0.81 ACHE (0.56) ACHEKLK7MEN1KMT2ABCHE
SCHEMBL8968354 0.81 ACHE (0.44) ACHEKLK7MEN1KMT2APDE2A
SCHEMBL8969485 0.81 ACHE (0.43) ACHEKLK7MEN1KMT2APDE2A
SCHEMBL4448665 0.80 ACHE (0.66) ACHEKLK7MEN1KMT2ABCHE
SCHEMBL29869033 0.80 ACHE (0.66) ACHEKLK7MEN1KMT2ABCHE
Hydrochloric Acid SCHEMBL8968390 0.79 ACHE (0.64) ACHEKLK7MEN1KMT2ABCHE
SCHEMBL8968195 0.76 ACHE (0.41) ACHEKLK7
SCHEMBL8970011 0.73 ACHE (0.41) ACHEKLK7

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