SCHEMBL8968233

SCHEMBL8968233

Clc1cc(Cl)c2c(c1)N=C1CCCN1C2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.57
BCHE P06276 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.45
CYP3A4 P08684 1/20 0.45
KMT2A Q03164 1/20 0.45
KLK7 P49862 1/20 0.43
HRH3 Q9Y5N1 1/20 0.36
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
Hydrochloric Acid SCHEMBL8969536 0.98 ACHE (0.56) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8969421 0.95 ACHE (0.63) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL4448665 0.94 ACHE (0.66) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL29869033 0.94 ACHE (0.66) ACHEBCHEALDH1A1MEN1USP2
Hydrochloric Acid SCHEMBL8968390 0.93 ACHE (0.64) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8968354 0.86 ACHE (0.44) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8969081 0.85 ACHE (0.55) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8970459 0.85 ACHE (0.51) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8968511 0.85 ACHE (0.55) ACHEBCHEALDH1A1MEN1USP2
SCHEMBL8968740 0.85 ACHE (0.55) 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