SCHEMBL8969701

SCHEMBL8969701

Clc1ccc2c(c1)N=C1CCC(c3ccccc3)(c3ccccc3)CCN1C2

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.58
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
BCHE P06276 1/20 0.43
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
KMT2A Q03164 1/20 0.42
CTSD P07339 2/20 0.41
SLC6A2 P23975 6/20 0.38
SLC6A4 P31645 6/20 0.38
SLC6A3 Q01959 6/20 0.38
CCR3 P51677 1/20 0.37

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
SCHEMBL8968349 0.89 ACHE (0.53) ACHEDRD2DRD4DRD3BCHE
SCHEMBL8969749 0.85 ACHE (0.60) ACHEBCHEMEN1USP2ALDH1A1
SCHEMBL8969711 0.83 ACHE (0.43) ACHEDRD2DRD4DRD3BCHE
SCHEMBL8969091 0.77 ACHE (0.60) ACHEDRD4BCHEMEN1USP2
SCHEMBL8969190 0.76 ACHE (0.89) ACHEDRD2DRD4DRD3BCHE
SCHEMBL8968773 0.75 ACHE (0.97) ACHEDRD2DRD4DRD3BCHE
SCHEMBL8968453 0.74 ACHE (1.00) ACHEDRD2DRD4DRD3BCHE
SCHEMBL8969789 0.74 ACHE (0.46) ACHEDRD2DRD4DRD3BCHE
SCHEMBL8969632 0.73 ACHE (0.40) ACHEDRD2DRD4DRD3BCHE
SCHEMBL8969927 0.73 ACHE (0.54) ACHEDRD4BCHEMEN1USP2

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