SCHEMBL8969407

SCHEMBL8969407

Cc1cc(Cl)cc2c1CN1CCCC1=N2

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.51
BCHE P06276 1/20 0.44
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
KMT2A Q03164 1/20 0.43
KLK7 P49862 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
TP53 P04637 1/20 0.30
MAPT P10636 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
SCHEMBL8970190 0.96 ACHE (0.57) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8969149 0.94 ACHE (0.59) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8968233 0.85 ACHE (0.57) ACHEBCHEMEN1USP2ALDH1A1
Hydrochloric Acid SCHEMBL8969536 0.84 ACHE (0.56) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8969945 0.82 ACHE (0.51) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8968890 0.82 ACHE (0.51) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8970459 0.82 ACHE (0.51) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8969421 0.81 ACHE (0.63) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8970226 0.81 ACHE (0.49) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8969036 0.79 ACHE (0.51) 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
US-5486512-A LEARNING ENHANCEMENT WARNER-LAMBERT COMPANY (US) 1996-01-23 US disclosed
EP-0597956-A1 QUINAZOLINE DERIVATIVES AS ACETYLCHOLINESTERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1994-05-25 EP disclosed
WO-1993003034-A1 QUINAZOLINE DERIVATIVES AS ACETYLCHOLINESTERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1993-02-18 WO disclosed