SCHEMBL6882019

SCHEMBL6882019

C=C1C(=C/C)/C(=C\C)C=Cc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.38
LMNA P02545 4/20 0.37
DRD2 P14416 4/20 0.37
CYP1A2 P05177 3/20 0.37
CYP2D6 P10635 3/20 0.37
ALOX15 P16050 2/20 0.37
TP53 P04637 2/20 0.37
CHRM2 P08172 2/20 0.37
HTR1A P08908 2/20 0.37
CHRM1 P11229 2/20 0.37
TSHR P16473 2/20 0.37
ADRA2C P18825 2/20 0.37
CHRM3 P20309 2/20 0.37
SLC6A2 P23975 2/20 0.37
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
SLC6A4 P31645 2/20 0.37
ADRA1A P35348 2/20 0.37
HRH1 P35367 2/20 0.37
DRD3 P35462 2/20 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
SCHEMBL7942062 0.78 HTR6 (0.50) HTR6LMNADRD2CYP1A2CYP2D6
SCHEMBL7942059 0.78 HTR6 (0.50) HTR6LMNADRD2CYP1A2CYP2D6
SCHEMBL7325069 0.76 LMNA (0.50) HTR6LMNADRD2CYP1A2CYP2D6
SCHEMBL11796344 0.75 HTR6 (0.43) HTR6LMNADRD2CYP1A2CYP2D6
SCHEMBL11796340 0.75 HTR6 (0.43) HTR6LMNADRD2CYP1A2CYP2D6
SCHEMBL9204207 0.73 LMNA (0.48) HTR6LMNADRD2CYP1A2CYP2D6
SCHEMBL170602 0.72 MEN1 (0.55) HTR6LMNADRD2CYP1A2CYP2D6
Propene SCHEMBL28136016 0.66 MAPT (0.39) HTR6LMNADRD2CYP1A2CYP2D6
SCHEMBL23095418 0.66 MAPT (0.48) LMNACYP1A2CYP2D6ALOX15TP53
SCHEMBL24293002 0.65 LMNA (0.40) HTR6LMNADRD2CYP1A2CYP2D6

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-2011091050-A1 OLIGOMER-TRICYCLIC CONJUGATES NEKTAR THERAPEUTICS (US) 2011-07-28 WO disclosed