SCHEMBL7274685

SCHEMBL7274685

CC(C)(C)N(C(=O)O)c1c2c(nc3ccccc13)CCC(=CC1CCN(Cc3ccccc3)CC1)C2=O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 13/20 0.45
BACE1 P56817 2/20 0.40
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
BCHE P06276 1/20 0.38
ABL1 P00519 1/20 0.37
RIN1 Q13671 1/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL7284054 0.89 ACHE (0.40) ACHEALDH1A1MAPK1
SCHEMBL7280009 0.88 ACHE (0.41) ACHEBCHE
SCHEMBL7272609 0.87 ACHE (0.40) ACHEALDH1A1MAPK1BCHE
SCHEMBL7280792 0.86 ACHE (0.40) ACHEBCHE
SCHEMBL7281844 0.84 ACHE (0.40) ACHEBCHE
SCHEMBL7280799 0.82 KMT2A (0.39) ALDH1A1MAPK1BCHELMNAHTT
SCHEMBL7274524 0.80 CHRM4 (0.38) ACHEL3MBTL1
SCHEMBL7273792 0.79 ACHE (0.42) ACHEALDH1A1MAPK1
SCHEMBL7283210 0.79 ACHE (0.43) ACHEALDH1A1MAPK1
SCHEMBL7280557 0.79 ACHE (0.42) ACHEALDH1A1MAPK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0481429-B1 Quinoline derivatives SS PHARMACEUTICAL CO (JP) 2001-01-24 EP disclosed
EP-0987262-A1 Quinoline derivatives SS PHARMACEUTICAL CO., LTD. (JP) 2000-03-22 EP disclosed
US-5300517-A Treating Alzheimer's SS PHARMACEUTICAL CO., LTD. (JP) 1994-04-05 US disclosed
US-5240934-A Cognition activators SS PHARMACEUTICAL CO., LTD. (JP) 1993-08-31 US disclosed
US-5190951-A Inhibitors of acetylcholinesterase, treatment of senile dementia SS PHARMACEUTICAL CO., LTD. (JP) 1993-03-02 US disclosed
EP-0481429-A2 Quinoline derivatives SS PHARMACEUTICAL CO., LTD. (JP) 1992-04-22 EP disclosed