SCHEMBL8968605

SCHEMBL8968605

Clc1ccc(Cl)c2c1CN1CCCC1=N2

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 13/20 0.56
BCHE P06276 1/20 0.45
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
KMT2A Q03164 1/20 0.44
KLK7 P49862 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL8969889 0.95 ACHE (0.62) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8968562 0.94 ACHE (0.65) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8968960 0.83 ACHE (0.57) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8969779 0.83 ACHE (0.57) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8969798 0.82 ACHE (0.59) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8968243 0.82 ACHE (0.59) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8969338 0.78 ACHE (0.89) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8968920 0.78 ACHE (0.61) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8969851 0.78 ACHE (0.89) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8969434 0.78 ACHE (0.61) 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 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