SCHEMBL8969751

SCHEMBL8969751

Cc1c(Cl)ccc2c1CN1CCCCC1=N2

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 17/20 0.64
BCHE P06276 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
HRH3 Q9Y5N1 1/20 0.36
PDE2A O00408 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
P2RY12 Q9H244 1/20 0.35

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
SCHEMBL8969381 0.99 ACHE (0.67) ACHEBCHEMEN1KMT2AUSP2
SCHEMBL8969687 0.85 ACHE (0.68) ACHEBCHEMEN1KMT2AUSP2
SCHEMBL8969782 0.85 ACHE (0.56) ACHEBCHEMEN1KMT2AUSP2
SCHEMBL8969571 0.84 ACHE (0.58) ACHEBCHEMEN1KMT2AUSP2
SCHEMBL8968737 0.84 ACHE (0.70) ACHEBCHEMEN1KMT2AUSP2
SCHEMBL8968961 0.83 ACHE (0.60) ACHEBCHEMEN1KMT2AUSP2
SCHEMBL8968391 0.82 ACHE (0.59) ACHEBCHEMEN1KMT2AUSP2
SCHEMBL8968764 0.82 ACHE (0.63) ACHEBCHEMEN1KMT2AUSP2
SCHEMBL8969434 0.81 ACHE (0.61) ACHEBCHEMEN1KMT2AUSP2
SCHEMBL8969241 0.79 ACHE (0.97) ACHEBCHEMEN1KMT2AUSP2

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