SCHEMBL8969241

SCHEMBL8969241

Clc1cccc2c1CN1CCCCC1=N2

nearest known ligand 0.97

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.97
BCHE P06276 1/20 0.53
LMNA P02545 2/20 0.51
CYP3A4 P08684 2/20 0.51
MEN1 O00255 1/20 0.51
USP2 O75604 1/20 0.51
ALDH1A1 P00352 1/20 0.51
KMT2A Q03164 1/20 0.51
CTSD P07339 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
BLM P54132 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39

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
SCHEMBL8968466 0.98 ACHE (1.00) ACHEBCHELMNACYP3A4MEN1
SCHEMBL8969338 0.95 ACHE (0.89) ACHEBCHELMNACYP3A4MEN1
SCHEMBL8968767 0.82 ACHE (0.68) ACHEBCHELMNACYP3A4MEN1
SCHEMBL31197078 0.82 ACHE (0.68) ACHEBCHELMNACYP3A4MEN1
SCHEMBL8968520 0.82 ACHE (0.68) ACHEBCHELMNACYP3A4MEN1
SCHEMBL8968183 0.82 ACHE (0.68) ACHEBCHELMNACYP3A4MEN1
SCHEMBL8969687 0.82 ACHE (0.68) ACHEBCHELMNACYP3A4MEN1
SCHEMBL8968737 0.81 ACHE (0.70) ACHEBCHELMNACYP3A4MEN1
SCHEMBL8968436 0.81 ACHE (0.70) ACHEBCHELMNACYP3A4MEN1
SCHEMBL8970192 0.81 ACHE (0.70) ACHEBCHELMNACYP3A4MEN1

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