SCHEMBL8970190

SCHEMBL8970190

Cc1cc(Cl)cc2c1CN1CCCCC1=N2

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 15/20 0.57
BCHE P06276 1/20 0.40
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
KMT2A Q03164 1/20 0.39
HRH3 Q9Y5N1 1/20 0.34
TP53 P04637 2/20 0.32
MAPT P10636 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
SCHEMBL8969149 0.99 ACHE (0.59) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8969407 0.96 ACHE (0.51) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8969421 0.85 ACHE (0.63) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8970226 0.85 ACHE (0.49) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL4448665 0.84 ACHE (0.66) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL29869033 0.84 ACHE (0.66) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8969036 0.84 ACHE (0.51) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8969053 0.83 ACHE (0.57) ACHEBCHEMEN1USP2ALDH1A1
Hydrochloric Acid SCHEMBL8968390 0.83 ACHE (0.64) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8969062 0.83 ACHE (0.57) 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