SCHEMBL6029174

SCHEMBL6029174

CCOC(=O)C1CNCCC1c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.79
PKM P14618 1/20 0.79
TSHR P16473 1/20 0.47
CYP2D6 P10635 3/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
SLC6A3 Q01959 3/20 0.45
SLC18A2 Q05940 1/20 0.45
ALDH1A1 P00352 3/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CHRM3 P20309 3/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
KCNH2 Q12809 2/20 0.44
REN P00797 1/20 0.43
CHRM2 P08172 2/20 0.43
CHRM4 P08173 2/20 0.43

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
SCHEMBL19483128 1.00 MAPT (0.79) MAPTPKMTSHRCYP2D6MEN1
SCHEMBL17485269 1.00 MAPT (0.79) MAPTPKMTSHRCYP2D6MEN1
SCHEMBL17486606 1.00 MAPT (0.79) MAPTPKMTSHRCYP2D6MEN1
SCHEMBL3185863 0.92 MAPT (0.68) MAPTPKMCYP2D6SLC6A3SLC18A2
SCHEMBL3185857 0.92 MAPT (0.68) MAPTPKMCYP2D6SLC6A3SLC18A2
SCHEMBL3185872 0.92 MAPT (0.68) MAPTPKMCYP2D6SLC6A3SLC18A2
SCHEMBL17486614 0.92 MAPT (0.68) MAPTPKMCYP2D6SLC6A3SLC18A2
SCHEMBL17485268 0.89 MAPT (0.63) MAPTPKMMEN1KMT2ASLC6A3
SCHEMBL17486605 0.89 MAPT (0.63) MAPTPKMMEN1KMT2ASLC6A3
SCHEMBL1095808 0.89 MAPT (0.97) MAPTPKMTSHRCYP2D6MEN1

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-7008940-B1 Dihydrobenzofuran derivatives, process for the preparing thereof and agents TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-03-07 US disclosed
EP-1213290-B1 DIHYDROBENZOFURAN DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS TAKEDA PHARMACEUTICAL (JP) 2005-04-20 EP disclosed
EP-1213290-A1 DIHYDROBENZOFURAN DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS Takeda Chemical Industries, Ltd. (JP) 2002-06-12 EP disclosed