SCHEMBL7960864

SCHEMBL7960864

Br[Ti](Br)(Oc1cccc2ccccc12)Oc1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 7/20 0.46
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
KCNA3 P22001 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 3/20 0.42
PGR P06401 1/20 0.42
GAA P10253 1/20 0.42
PTGS1 P23219 1/20 0.42
MAPK1 P28482 1/20 0.42
HTR1D P28221 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SLC6A4 P31645 1/20 0.41
HRH1 P35367 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL4307229 0.82 HTR1B (0.48) HTR1BALDH1A1KDM4ETDP1KCNA3
SCHEMBL8614225 0.78 HTR1B (0.46) HTR1BALDH1A1KDM4ETDP1KCNA3
SCHEMBL29577853 0.74 HTR1B (0.54) HTR1BALDH1A1KDM4ETDP1KCNA3
SCHEMBL442767 0.74 HTR1B (0.54) HTR1BALDH1A1KDM4ETDP1KCNA3
SCHEMBL4289478 0.74 HTR1B (0.59) HTR1BALDH1A1KDM4ETDP1KCNA3
SCHEMBL5402131 0.73 HTR1B (0.48) HTR1BALDH1A1KDM4ETDP1KCNA3
Lithium SCHEMBL6571336 0.72 HTR1B (0.52) HTR1BALDH1A1KDM4ETDP1KCNA3
SCHEMBL7457103 0.72 HTR1B (0.52) HTR1BALDH1A1KDM4ETDP1KCNA3
Methane SCHEMBL10959030 0.72 HTR1B (0.52) HTR1BALDH1A1KDM4ETDP1KCNA3
SCHEMBL8026143 0.71 ALDH1A1 (0.55) HTR1BALDH1A1KDM4ETDP1KCNA3

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
US-6172238-B1 Process for manufacturing 1-[3-cyclopentyl-2(R)-[1(R)-hydroxycarbamoyl)-2-(3,4,4-trimethyl-2,5-dioxo-1-imidazolidinyl)ethyl]propionyl]piperidine HOFFMANN-LA ROCHE INC. 2001-01-09 US disclosed
US-6031103-A Process for manufacturing 1-[3-cyclopentyl -2(R)-[1(R)-hydroxycarbamoyl)-2-(3, 4, 4-trimethyl -2, 5-D ioxo-1-imidazolidinyl) ethyl] propionyl] piperidine HOFFMANN-LA ROCHE INC. (US) 2000-02-29 US disclosed