SCHEMBL8969628

SCHEMBL8969628

Clc1cc(Cl)c2c(c1)CN1CCCCCC1=N2

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 15/20 0.66
KLK7 P49862 1/20 0.47
BCHE P06276 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL8968368 0.98 ACHE (0.63) ACHEKLK7BCHEALDH1A1MEN1
SCHEMBL8968587 0.94 ACHE (0.57) ACHEKLK7BCHEALDH1A1MEN1
SCHEMBL8969785 0.86 ACHE (0.63) ACHEKLK7BCHEALDH1A1MEN1
SCHEMBL8969418 0.84 ACHE (0.60) ACHEKLK7BCHEALDH1A1MEN1
SCHEMBL8969868 0.80 ACHE (0.59) ACHEKLK7BCHEALDH1A1MEN1
SCHEMBL8969094 0.79 ACHE (1.00) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8969689 0.79 ACHE (0.52) ACHEKLK7BCHEALDH1A1MEN1
SCHEMBL8968909 0.78 ACHE (0.97) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8970605 0.77 ACHE (0.55) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8968800 0.77 ACHE (0.70) ACHEBCHEALDH1A1MEN1USP2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0597956-A1 QUINAZOLINE DERIVATIVES AS ACETYLCHOLINESTERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1994-05-25 EP claimed
WO-1993003034-A1 QUINAZOLINE DERIVATIVES AS ACETYLCHOLINESTERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1993-02-18 WO claimed
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