SCHEMBL8969158

SCHEMBL8969158

COc1cc2c(cc1OC)N=C1CCCCCN1C2

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 13/20 0.57
BCHE P06276 2/20 0.47
HRH3 Q9Y5N1 1/20 0.46
ALDH1A1 P00352 4/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
CYP3A4 P08684 1/20 0.46
KMT2A Q03164 1/20 0.46
CHKA P35790 1/20 0.43
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAOB P27338 2/20 0.40
MAOA P21397 1/20 0.40
SLC6A4 P31645 1/20 0.40

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
SCHEMBL8969588 0.99 ACHE (0.55) ACHEBCHEHRH3ALDH1A1LMNA
SCHEMBL8968388 0.81 ACHE (0.61) ACHEBCHEHRH3ALDH1A1LMNA
SCHEMBL8969616 0.79 ACHE (0.58) ACHEBCHEHRH3ALDH1A1LMNA
SCHEMBL8968730 0.79 ACHE (0.63) ACHEBCHEHRH3ALDH1A1LMNA
SCHEMBL8969778 0.79 ACHE (0.63) ACHEBCHEHRH3ALDH1A1LMNA
SCHEMBL8969028 0.78 ACHE (0.69) ACHEBCHEHRH3ALDH1A1LMNA
SCHEMBL8968295 0.77 ACHE (0.47) ACHEBCHEHRH3ALDH1A1LMNA
SCHEMBL8970082 0.77 ACHE (0.50) ACHEBCHEHRH3ALDH1A1LMNA
SCHEMBL8968235 0.77 ACHE (0.50) ACHEBCHEHRH3ALDH1A1LMNA
SCHEMBL8969676 0.77 ACHE (0.50) ACHEBCHEHRH3ALDH1A1LMNA

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