SCHEMBL8028959

SCHEMBL8028959

CC(c1cc2cc(CC3COC(=O)N3)ccc2[nH]1)N(C)C

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 8/20 0.51
▸ HTR1B P28222 8/20 0.51
▸ HTR1A P08908 4/20 0.51
▸ HTR2A P28223 3/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ ADRA1A P35348 1/20 0.51
▸ HTR1F P30939 1/20 0.49
▸ SCN9A Q15858 1/20 0.38
▸ CACNA1C Q13936 4/20 0.34
▸ SCN5A Q14524 4/20 0.34
▸ KCNH2 Q12809 3/20 0.34
▸ S1PR1 P21453 1/20 0.34
▸ ALOX5 P09917 1/20 0.32
▸ IRAK4 Q9NWZ3 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL8039591 0.78 HTR1D (0.65) HTR1DHTR1BHTR1AHTR2AKMT2A
SCHEMBL5954643 0.78 HTR1D (0.65) HTR1DHTR1BHTR1AHTR2AKMT2A
SCHEMBL7810050 0.73 HTR1D (0.54) HTR1DHTR1BHTR1AHTR2AKMT2A
SCHEMBL7810045 0.73 HTR1D (0.54) HTR1DHTR1BHTR1AHTR2AKMT2A
SCHEMBL7813934 0.73 HTR1D (0.54) HTR1DHTR1BHTR1AHTR2AKMT2A
SCHEMBL8158813 0.71 HTR1D (0.45) HTR1DHTR1BHTR1AHTR2AHTR1F
SCHEMBL12194629 0.70 HTR1D (0.46) HTR1DHTR1BHTR1AHTR2AKMT2A
SCHEMBL13773323 0.69 HTR1D (0.67) HTR1DHTR1BHTR1AHTR2AKMT2A
Zolmitriptan SCHEMBL2376692 0.68 HTR1D (0.90) HTR1DHTR1BHTR1AHTR2AKMT2A
Sulfuric Acid SCHEMBL8624153 0.68 HTR1D (0.42) HTR1DHTR1BHTR1AHTR2AKMT2A

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
US-6160123-A One pot synthesis of 2-oxazolidinone derivatives ZENECA, LTD. (GB) 2000-12-12 — — US disclosed
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