SCHEMBL8968637

SCHEMBL8968637

Cc1c(C)c2c(c(Cl)c1Cl)N=C1CCCCCN1C2

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.48
USP2 O75604 2/20 0.34
INMT O95050 1/20 0.34
BCHE P06276 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
KMT2A Q03164 1/20 0.31
PDE10A Q9Y233 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
SCHEMBL8968302 0.90 ACHE (0.49) ACHEUSP2INMTBCHEMEN1
SCHEMBL8969287 0.90 ACHE (0.49) ACHEUSP2INMTBCHEMEN1
SCHEMBL8969357 0.88 ACHE (0.48) ACHEUSP2INMTBCHEMEN1
SCHEMBL8968741 0.88 ACHE (0.48) ACHEUSP2INMTBCHEMEN1
SCHEMBL8969183 0.85 ACHE (0.43) ACHEUSP2INMTMEN1KMT2A
SCHEMBL8969215 0.82 ACHE (0.48) ACHEUSP2INMTBCHEMEN1
SCHEMBL8968312 0.81 ACHE (0.46) ACHEUSP2INMTBCHEMEN1
SCHEMBL8968343 0.80 ACHE (0.49) ACHEUSP2INMTBCHEMEN1
SCHEMBL8968853 0.79 ACHE (0.51) ACHEUSP2INMTBCHEMEN1
SCHEMBL8968417 0.79 ACHE (0.48) ACHEUSP2INMTBCHEMEN1

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