SCHEMBL8968801

SCHEMBL8968801

CNC(=O)Oc1ccc2c(c1Cl)CN1C(=N2)C2CCC1C2

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.36
MAOA P21397 2/20 0.36
PDE3B Q13370 2/20 0.32
PDE3A Q14432 2/20 0.32
BCHE P06276 1/20 0.31

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
SCHEMBL8969986 0.87 MAOA (0.35) ACHEMAOAPDE3BPDE3A
SCHEMBL8968414 0.80 ACHE (0.36) ACHEMAOAPDE3BPDE3ABCHE
SCHEMBL8968531 0.80 ACHE (0.33) ACHE
SCHEMBL8968687 0.80 MAOA (0.34) ACHEMAOA
SCHEMBL8968787 0.77 ACHE (0.41) ACHEPDE3BPDE3ABCHE
SCHEMBL8969508 0.77 PDE3B (0.33) PDE3BPDE3A
SCHEMBL8969903 0.76 PDE3B (0.45) PDE3BPDE3A
SCHEMBL8969282 0.72 CTSD (0.34) PDE3BPDE3A
SCHEMBL8969273 0.70 ACHE (0.38) ACHEMAOA
SCHEMBL8970030 0.70 CTSD (0.50) ACHEPDE3BPDE3ABCHE

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