SCHEMBL4003846

SCHEMBL4003846

COc1cc(-c2oc3ccc(CC(=O)CN4CCN(Cc5ccccc5)CC4)cc3c2SC)ccc1O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.43
HTR1A P08908 2/20 0.42
HTR7 P34969 2/20 0.42
HTR6 P50406 2/20 0.42
ALDH1A1 P00352 3/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
ALOX12 P18054 1/20 0.40
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
BCHE P06276 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL3011145 0.91 ACHE (0.49) ACHEALDH1A1GAAKDM4EALOX12
SCHEMBL4000382 0.89 GRIN1 (0.48) ACHEALDH1A1GAABCHE
SCHEMBL4003793 0.89 CSNK2A2 (0.42) ALDH1A1GAAMAPTKDM4ECSNK2A2
SCHEMBL4005421 0.88 CSNK2A2 (0.41) ALDH1A1GAAMAPTKDM4ESIGMAR1
SCHEMBL3010624 0.86 ACHE (0.47) ACHEHTR1AHTR7HTR6ALDH1A1
SCHEMBL3014065 0.84 ALDH1A1 (0.50) HTR1AHTR7HTR6ALDH1A1GAA
SCHEMBL4003849 0.82 ACHE (0.41) ACHEALDH1A1GAAMAPTKDM4E
SCHEMBL3001735 0.82 ALDH1A1 (0.55) ALDH1A1GAAMAPTKDM4ECSNK2A2
SCHEMBL3001985 0.81 CSNK2A2 (0.43) ALDH1A1GAAMAPTKDM4ECSNK2A2
SCHEMBL3999096 0.81 ACHE (0.41) ACHEHTR1AHTR7HTR6ALDH1A1

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
EP-2069321-A1 NOVEL BENZOFURAN TYPE DERIVATIVES, A COMPOSITION COMPRISING THE SAME FOR TREATING OR PREVENTING COGNITIVE DYSFUNCTION AND THE USE THEREOF Digital Biotech Co., Ltd. (KR) 2009-06-17 EP disclosed
WO-2008041826-A1 NOVEL BENZOFURAN TYPE DERIVATIVES, A COMPOSITION COMPRISING THE SAME FOR TREATING OR PREVENTING COGNITIVE DYSFUNCTION AND THE USE THEREOF DIGITAL BIOTECH CO., LTD (KR) 2008-04-10 WO disclosed