SCHEMBL8968343

SCHEMBL8968343

Cc1cc(C)c2c(c1Cl)N=C1CCCCCN1C2

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 15/20 0.49
BCHE P06276 2/20 0.33
USP2 O75604 2/20 0.33
APP P05067 1/20 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
INMT O95050 1/20 0.33
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
SCHEMBL8969284 0.89 ACHE (0.49) ACHEBCHEUSP2APPMEN1
SCHEMBL8969960 0.85 ACHE (0.51) ACHEBCHEUSP2APPMEN1
SCHEMBL8969287 0.81 ACHE (0.49) ACHEBCHEUSP2MEN1ALDH1A1
SCHEMBL8969798 0.81 ACHE (0.59) ACHEBCHEUSP2MEN1ALDH1A1
SCHEMBL8968637 0.80 ACHE (0.48) ACHEBCHEUSP2MEN1ALDH1A1
SCHEMBL8968741 0.80 ACHE (0.48) ACHEBCHEUSP2MEN1ALDH1A1
SCHEMBL8970150 0.80 ACHE (0.50) ACHEBCHEUSP2APPMEN1
SCHEMBL8969004 0.80 ACHE (0.54) ACHEBCHEUSP2MEN1ALDH1A1
SCHEMBL8969768 0.80 ACHE (0.54) ACHEBCHEUSP2MEN1ALDH1A1
SCHEMBL8968853 0.80 ACHE (0.51) ACHEBCHEUSP2APPMEN1

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