SCHEMBL8969229

SCHEMBL8969229

CC1(C)c2c(Cl)cc(Cl)cc2N=C2CCCCCN21

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 12/20 0.42
HTT P42858 1/20 0.34
KLK7 P49862 1/20 0.33
HSD11B1 P28845 1/20 0.30
HSD11B2 P80365 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL8968620 0.94 KLK7 (0.37) ACHEKLK7
SCHEMBL8968337 0.82 ACHE (0.56) ACHEHTTALDH1A1
SCHEMBL8969296 0.82 ACHE (0.35) ACHEKLK7
SCHEMBL8969272 0.78 ACHE (0.54) ACHEHTTHSD11B1HSD11B2ALDH1A1
SCHEMBL4448665 0.68 ACHE (0.66) ACHEKLK7NPC1ALDH1A1HPGD
SCHEMBL29869033 0.68 ACHE (0.66) ACHEKLK7NPC1ALDH1A1HPGD
SCHEMBL8969901 0.67 ACHE (0.69) ACHEHTTKLK7NPC1ALDH1A1
Hydrochloric Acid SCHEMBL8968390 0.67 ACHE (0.64) ACHEKLK7NPC1ALDH1A1HPGD
SCHEMBL8969421 0.66 ACHE (0.63) ACHEKLK7NPC1ALDH1A1HPGD
SCHEMBL8969429 0.65 KLK7 (0.56) ACHEHTTKLK7NPC1ALDH1A1

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