SCHEMBL6995396

SCHEMBL6995396

CCOS(=O)(=O)CC1OCCc2cc(C(=O)NC)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 7/20 0.51
DRD2 P14416 6/20 0.51
HTR2A P28223 5/20 0.51
HTR1A P08908 3/20 0.51
DRD4 P21917 2/20 0.51
HTR1B P28222 2/20 0.51
MAPT P10636 4/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
THRB P10828 1/20 0.45
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.41
KDM4E B2RXH2 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 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
SCHEMBL6995726 0.88 HTR1D (0.48) HTR1DDRD2HTR2AHTR1ADRD4
SCHEMBL6811792 0.81 HTR1D (0.55) HTR1DDRD2HTR2AHTR1ADRD4
SCHEMBL6812173 0.81 HTR1D (0.55) HTR1DDRD2HTR2AHTR1ADRD4
SCHEMBL6990054 0.79 HTR6 (0.38) DRD2DRD4MAPTMEN1KMT2A
SCHEMBL8549578 0.78 HTR1D (0.62) HTR1DDRD2HTR2AHTR1ADRD4
SCHEMBL8554144 0.78 HTR1D (0.61) HTR1DDRD2HTR2AHTR1ADRD4
SCHEMBL6630124 0.77 HTR1A (0.38) HTR1DDRD2HTR1AHTR1BMAPT
SCHEMBL6810878 0.71 MAPT (0.46) HTR1DDRD2HTR2AHTR1ADRD4
SCHEMBL8549410 0.70 HTR1D (0.84) HTR1DDRD2HTR2AHTR1ADRD4
SCHEMBL8553298 0.70 HTR1D (0.84) HTR1DDRD2HTR2AHTR1ADRD4

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-1345930-A2 PHARMACEUTICAL COMPOUNDS ELI LILLY AND COMPANY (US) 2003-09-24 EP disclosed
WO-2002050067-A2 PHARMACEUTICAL HETEROCYCLIC COMPOUNDS ELI LILLY AND COMPANY (US) 2002-06-27 WO disclosed