SCHEMBL8968497

SCHEMBL8968497

Clc1cccc2c1CN1CC(c3ccccc3)(c3ccccc3)OCC1=N2

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.47
CTSD P07339 1/20 0.37
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
BLM P54132 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36

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
SCHEMBL8969581 0.87 ACHE (0.33) ACHE
SCHEMBL8968412 0.81 ACHE (0.46) ACHECTSDLMNACYP3A4PDE3B
SCHEMBL8968484 0.79 ACHE (0.54) ACHECTSDLMNACYP1A2CYP3A4
SCHEMBL8969789 0.77 ACHE (0.46) ACHECTSDLMNACYP1A2CYP3A4
SCHEMBL8969091 0.73 ACHE (0.60) ACHECTSDLMNACYP1A2CYP3A4
SCHEMBL8968433 0.68 ACHE (0.50) ACHECTSDLMNACYP1A2CYP3A4
SCHEMBL8968804 0.68 ACHE (0.62) ACHECTSDLMNACYP1A2CYP3A4
SCHEMBL8969632 0.67 ACHE (0.40) ACHELMNACYP3A4
SCHEMBL8969338 0.66 ACHE (0.89) ACHECTSDLMNACYP1A2CYP3A4
SCHEMBL8969241 0.65 ACHE (0.97) ACHECTSDLMNACYP1A2CYP3A4

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