SCHEMBL8968431

SCHEMBL8968431

COc1cc2c(c(OC)c1)N=C1CCCCN1C2

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 12/20 0.45
HRH3 Q9Y5N1 1/20 0.40
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
BCHE P06276 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
KMT2A Q03164 1/20 0.38
DRD1 P21728 2/20 0.37
HTR1A P08908 1/20 0.36
PARP1 P09874 1/20 0.34
CHKA P35790 1/20 0.34

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
SCHEMBL8968295 0.99 ACHE (0.47) ACHEHRH3MAPTNPSR1BCHE
SCHEMBL8968561 0.80 ACHE (0.63) ACHEMAPTBCHEMEN1USP2
SCHEMBL8970082 0.77 ACHE (0.50) ACHEHRH3MAPTBCHEMEN1
SCHEMBL8969676 0.77 ACHE (0.50) ACHEHRH3MAPTBCHEMEN1
SCHEMBL8968730 0.77 ACHE (0.63) ACHEHRH3BCHEMEN1USP2
SCHEMBL8969588 0.76 ACHE (0.55) ACHEHRH3MAPTBCHEMEN1
SCHEMBL8969790 0.76 ACHE (0.51) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8969158 0.75 ACHE (0.57) ACHEHRH3MAPTBCHEMEN1
SCHEMBL8968341 0.75 ACHE (0.53) ACHEHRH3BCHEMEN1USP2
SCHEMBL8969778 0.74 ACHE (0.63) ACHEHRH3MAPTNPSR1BCHE

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