SCHEMBL8968329

SCHEMBL8968329

CCCCCCCNC(=O)Oc1c(Cl)cc2c(c1Cl)CN1CCCCC1=N2

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.39
PTGS2 P35354 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
SCHEMBL8968367 0.99 ACHE (0.40) ACHE
SCHEMBL8969783 0.85 ACHE (0.42) ACHE
SCHEMBL8969539 0.85 ACHE (0.43) ACHE
SCHEMBL8969525 0.84 ACHE (0.45) ACHE
SCHEMBL8969840 0.83 ACHE (0.43) ACHE
SCHEMBL8969967 0.82 ACHE (0.45) ACHE
SCHEMBL8968501 0.78 ACHE (0.52) ACHE
SCHEMBL8968475 0.77 ACHE (0.54) ACHE
SCHEMBL8968991 0.75 ACHE (0.35) ACHE
SCHEMBL8968253 0.75 ACHE (0.38) ACHE

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