SCHEMBL8969632

SCHEMBL8969632

Clc1cc(Cl)c2c(c1)N=C1CCC(c3ccccc3)(c3ccccc3)CN1C2

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.40
DRD4 P21917 2/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
OPRM1 P35372 1/20 0.33
AR P10275 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP2C9 P11712 1/20 0.33
CNR2 P34972 1/20 0.31
BCHE P06276 1/20 0.31
HSD11B1 P28845 2/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
CYP3A4 P08684 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
SCHEMBL8969711 0.90 ACHE (0.43) ACHEDRD4DRD2DRD3OPRM1
SCHEMBL8968484 0.88 ACHE (0.54) ACHEDRD4OPRM1ARMEN1
SCHEMBL8968349 0.84 ACHE (0.53) ACHEDRD4DRD2DRD3MEN1
SCHEMBL8969581 0.81 ACHE (0.33) ACHEDRD4DRD2DRD3
SCHEMBL8969927 0.78 ACHE (0.54) ACHEDRD4OPRM1MEN1KMT2A
SCHEMBL8969091 0.77 ACHE (0.60) ACHEDRD4OPRM1MEN1KMT2A
SCHEMBL8969701 0.73 ACHE (0.58) ACHEDRD4DRD2DRD3MEN1
SCHEMBL8968233 0.73 ACHE (0.57) ACHEDRD4DRD2DRD3MEN1
Hydrochloric Acid SCHEMBL8969536 0.72 ACHE (0.56) ACHEDRD4DRD2DRD3MEN1
SCHEMBL8969421 0.72 ACHE (0.63) ACHEMEN1KMT2ABCHEUSP2

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