SCHEMBL8968558

SCHEMBL8968558

CNC(=O)Oc1cc2c(cc1Cl)N=C1CCCCN1C2

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.48
MAOA P21397 1/20 0.37
BCHE P06276 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.30
HTT P42858 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
SCHEMBL8969163 0.99 ACHE (0.50) ACHEMAOABCHEHRH3MEN1
SCHEMBL8969840 0.83 ACHE (0.43) ACHE
SCHEMBL8969967 0.83 ACHE (0.45) ACHEHRH3
SCHEMBL8969195 0.80 ACHE (0.54) ACHEBCHEHRH3MEN1USP2
SCHEMBL8969525 0.80 ACHE (0.45) ACHEMAOABCHEHRH3MEN1
SCHEMBL8969663 0.79 ACHE (0.56) ACHEBCHEHRH3MEN1USP2
SCHEMBL8969694 0.79 ACHE (0.46) ACHEMAOABCHEHRH3MEN1
SCHEMBL8969665 0.78 ACHE (0.48) ACHEMAOABCHEHRH3MEN1
SCHEMBL8969302 0.77 ACHE (0.50) ACHEMAOABCHEHRH3MEN1
SCHEMBL8968543 0.77 ACHE (0.67) ACHEBCHEHRH3MEN1USP2

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