SCHEMBL8969785

SCHEMBL8969785

Cc1cc(Cl)c2c(c1)CN1CCCCCC1=N2

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 15/20 0.63
BCHE P06276 1/20 0.39
USP2 O75604 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
KMT2A Q03164 1/20 0.38
KLK7 P49862 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
INMT O95050 1/20 0.33
NPY5R Q15761 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
SCHEMBL8969418 0.99 ACHE (0.60) ACHEBCHEUSP2MEN1ALDH1A1
SCHEMBL8969100 0.86 ACHE (0.51) ACHEBCHEUSP2MEN1ALDH1A1
SCHEMBL8969628 0.86 ACHE (0.66) ACHEBCHEUSP2MEN1ALDH1A1
SCHEMBL8970068 0.84 ACHE (0.49) ACHEBCHEUSP2MEN1ALDH1A1
SCHEMBL8968368 0.84 ACHE (0.63) ACHEBCHEUSP2MEN1ALDH1A1
SCHEMBL8969868 0.83 ACHE (0.59) ACHEBCHEUSP2MEN1ALDH1A1
SCHEMBL8968587 0.80 ACHE (0.57) ACHEBCHEUSP2MEN1ALDH1A1
SCHEMBL8969542 0.80 ACHE (0.54) ACHEBCHEUSP2MEN1ALDH1A1
SCHEMBL8969768 0.80 ACHE (0.54) ACHEBCHEUSP2MEN1ALDH1A1
SCHEMBL8968972 0.78 ACHE (0.67) ACHEBCHEUSP2MEN1ALDH1A1

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