SCHEMBL2667069

SCHEMBL2667069

CCCOC1=NNC(c2ccccc2OC)C1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.39
HTR2C P28335 4/20 0.39
HTR2B P41595 2/20 0.39
POLB P06746 2/20 0.38
ADRA1A P35348 2/20 0.38
ADRA1D P25100 1/20 0.38
LMNA P02545 4/20 0.38
TSHR P16473 2/20 0.36
GAA P10253 2/20 0.36
HTR2A P28223 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL9072000 0.85 HTR7 (0.40) ADRA1AADRA1DKDM4EALDH1A1
SCHEMBL2666963 0.81 POLB (0.50) POLBLMNAALDH1A1MAPT
SCHEMBL9071987 0.79 GSK3B (0.40) DRD2ADRA1A
SCHEMBL2667068 0.78 HTR2C (0.40) HTR2CHTR2BADRA1AADRA1DGAA
SCHEMBL9071989 0.78 L3MBTL1 (0.43) POLBLMNAALDH1A1MAPTHTT
SCHEMBL9071982 0.75 L3MBTL1 (0.38) HTR2CPOLBADRA1AADRA1DLMNA
SCHEMBL2666926 0.75 MAOA (0.44) HTR2CHTR2BPOLBADRA1AADRA1D
SCHEMBL2666928 0.74 HTR2C (0.41) DRD2HTR2CHTR2BPOLBADRA1A
SCHEMBL9072147 0.71 DHFR (0.51) POLBLMNATSHRGAAKDM4E
SCHEMBL2666743 0.70 PKM (0.41) HTR2CHTR2BPOLBHTR2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007061923-A2 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. (US) 2007-05-31 WO disclosed