SCHEMBL8969418

SCHEMBL8969418

Cc1cc(Cl)c2c(c1)CN1CCCCC1=N2

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 15/20 0.60
BCHE P06276 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
USP2 O75604 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
KLK7 P49862 1/20 0.37
HRH3 Q9Y5N1 1/20 0.34
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
INMT O95050 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
SCHEMBL8969785 0.99 ACHE (0.63) ACHEBCHEMEN1KMT2AUSP2
SCHEMBL8968368 0.85 ACHE (0.63) ACHEBCHEMEN1KMT2AUSP2
SCHEMBL8970068 0.85 ACHE (0.49) ACHEBCHEMEN1KMT2AUSP2
SCHEMBL8969100 0.84 ACHE (0.51) ACHEBCHEMEN1KMT2AUSP2
SCHEMBL8969628 0.84 ACHE (0.66) ACHEBCHEMEN1KMT2AUSP2
SCHEMBL8969868 0.82 ACHE (0.59) ACHEBCHEMEN1KMT2AUSP2
SCHEMBL8968587 0.81 ACHE (0.57) ACHEBCHEMEN1KMT2AUSP2
SCHEMBL8969281 0.79 ACHE (0.52) ACHEBCHEMEN1KMT2AUSP2
SCHEMBL8969542 0.78 ACHE (0.54) ACHEBCHEMEN1KMT2AUSP2
SCHEMBL8969768 0.78 ACHE (0.54) 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