SCHEMBL8969711

SCHEMBL8969711

Clc1cc(Cl)c2c(c1)N=C1CCC(c3ccccc3)(c3ccccc3)CCN1C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 9/20 0.43
DRD4 P21917 2/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
AR P10275 1/20 0.36
OPRM1 P35372 2/20 0.35
BCHE P06276 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP2C9 P11712 1/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
GRIN1 Q05586 1/20 0.34
KCNH2 Q12809 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34

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
SCHEMBL8969632 0.90 ACHE (0.40) ACHEDRD4DRD2DRD3AR
SCHEMBL8969091 0.87 ACHE (0.60) ACHEDRD4OPRM1BCHEMEN1
SCHEMBL8969701 0.83 ACHE (0.58) ACHEDRD4DRD2DRD3BCHE
SCHEMBL8968484 0.78 ACHE (0.54) ACHEDRD4AROPRM1BCHE
SCHEMBL8969749 0.77 ACHE (0.60) ACHEOPRM1BCHEMEN1KMT2A
SCHEMBL8968233 0.76 ACHE (0.57) ACHEDRD4DRD2DRD3BCHE
SCHEMBL8969581 0.76 ACHE (0.33) ACHEDRD4DRD2DRD3
SCHEMBL8969421 0.75 ACHE (0.63) ACHEBCHEMEN1KMT2AUSP2
Hydrochloric Acid SCHEMBL8969536 0.75 ACHE (0.56) ACHEDRD4DRD2DRD3BCHE
SCHEMBL8968349 0.75 ACHE (0.53) ACHEDRD4DRD2DRD3BCHE

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 3 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
EP-0597956-A1 QUINAZOLINE DERIVATIVES AS ACETYLCHOLINESTERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1994-05-25 EP disclosed
WO-1993003034-A1 QUINAZOLINE DERIVATIVES AS ACETYLCHOLINESTERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1993-02-18 WO disclosed