SCHEMBL8969588

SCHEMBL8969588

COc1cc2c(cc1OC)N=C1CCCCN1C2

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 13/20 0.55
BCHE P06276 2/20 0.48
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
CYP3A4 P08684 1/20 0.47
KMT2A Q03164 1/20 0.47
HRH3 Q9Y5N1 1/20 0.44
CHKA P35790 1/20 0.41
MAOB P27338 4/20 0.41
MAOA P21397 2/20 0.41
SLC6A4 P31645 1/20 0.41
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL8969158 0.99 ACHE (0.57) ACHEBCHEALDH1A1LMNAMEN1
SCHEMBL8969616 0.80 ACHE (0.58) ACHEBCHEALDH1A1LMNAMEN1
SCHEMBL8968730 0.80 ACHE (0.63) ACHEBCHEALDH1A1LMNAMEN1
SCHEMBL8969778 0.80 ACHE (0.63) ACHEBCHEALDH1A1LMNAMEN1
SCHEMBL8968388 0.79 ACHE (0.61) ACHEBCHEALDH1A1LMNAMEN1
SCHEMBL8968543 0.77 ACHE (0.67) ACHEBCHEALDH1A1LMNAMEN1
SCHEMBL8968431 0.76 ACHE (0.45) ACHEBCHEALDH1A1LMNAMEN1
SCHEMBL8969028 0.76 ACHE (0.69) ACHEBCHEALDH1A1LMNAMEN1
SCHEMBL8970057 0.75 ACHE (0.60) ACHEBCHEALDH1A1LMNAMEN1
SCHEMBL8968295 0.75 ACHE (0.47) ACHEBCHEALDH1A1LMNAMEN1

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 2 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
WO-1993003034-A1 QUINAZOLINE DERIVATIVES AS ACETYLCHOLINESTERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1993-02-18 WO disclosed