SCHEMBL8968979

SCHEMBL8968979

Cc1c(Cl)cc(Cl)c2c1N=C1CCCCN1C2

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 15/20 0.50
KLK7 P49862 1/20 0.35
BCHE P06276 2/20 0.34
USP2 O75604 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
KMT2A Q03164 1/20 0.33
APP P05067 1/20 0.31
INMT O95050 1/20 0.30
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
SCHEMBL8969136 0.99 ACHE (0.52) ACHEKLK7BCHEUSP2MEN1
SCHEMBL8969960 0.89 ACHE (0.51) ACHEKLK7BCHEUSP2MEN1
SCHEMBL8969376 0.89 ACHE (0.51) ACHEKLK7BCHEUSP2MEN1
SCHEMBL8968853 0.83 ACHE (0.51) ACHEKLK7BCHEUSP2MEN1
SCHEMBL8970569 0.81 ACHE (0.44) ACHE
SCHEMBL8969524 0.81 ACHE (0.51) ACHEKLK7BCHEUSP2MEN1
SCHEMBL8969779 0.80 ACHE (0.57) ACHEKLK7BCHEUSP2MEN1
SCHEMBL8968312 0.79 ACHE (0.46) ACHEBCHEUSP2MEN1ALDH1A1
SCHEMBL8968302 0.79 ACHE (0.49) ACHEBCHEUSP2MEN1ALDH1A1
SCHEMBL8969889 0.79 ACHE (0.62) ACHEKLK7BCHEUSP2MEN1

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