SCHEMBL8968466

SCHEMBL8968466

Clc1cccc2c1CN1CCCCCC1=N2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 16/20 1.00
BCHE P06276 1/20 0.51
MEN1 O00255 1/20 0.50
USP2 O75604 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
CYP3A4 P08684 1/20 0.50
KMT2A Q03164 1/20 0.50
CTSD P07339 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
SCHEMBL8969241 0.98 ACHE (0.97) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8969338 0.94 ACHE (0.89) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8968436 0.82 ACHE (0.70) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8970192 0.82 ACHE (0.70) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8968737 0.82 ACHE (0.70) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8968700 0.82 ACHE (0.70) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8969687 0.81 ACHE (0.68) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8968183 0.81 ACHE (0.68) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8968767 0.81 ACHE (0.68) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL31197078 0.81 ACHE (0.68) ACHEBCHEMEN1USP2ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993003034-A1 QUINAZOLINE DERIVATIVES AS ACETYLCHOLINESTERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1993-02-18 WO claimed
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