SCHEMBL8970011

SCHEMBL8970011

O=S1(=O)CCC2=Nc3cc(Cl)cc(Cl)c3CN2CC1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.41
CNR2 P34972 1/20 0.31
KLK7 P49862 1/20 0.30
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30
DRD3 P35462 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
SCHEMBL8969301 0.88 ACHE (0.39) ACHE
SCHEMBL8968233 0.80 ACHE (0.57) ACHEKLK7DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL8969536 0.79 ACHE (0.56) ACHEKLK7DRD2DRD4DRD3
SCHEMBL8969421 0.79 ACHE (0.63) ACHEKLK7
SCHEMBL8969485 0.78 ACHE (0.43) ACHEKLK7DRD2DRD4DRD3
SCHEMBL4448665 0.78 ACHE (0.66) ACHEKLK7
SCHEMBL29869033 0.78 ACHE (0.66) ACHEKLK7
Hydrochloric Acid SCHEMBL8968390 0.77 ACHE (0.64) ACHEKLK7
SCHEMBL8969455 0.76 ACHE (0.43) ACHECNR2DRD2DRD4DRD3
SCHEMBL8968698 0.76 ACHE (0.43) ACHEKLK7DRD2DRD4DRD3

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