SCHEMBL8039591

SCHEMBL8039591

CC(c1c[nH]c2ccc(C[C@H]3COC(=O)N3)cc12)N(C)C

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 12/20 0.65
▸ HTR1B P28222 12/20 0.65
▸ HTR1A P08908 5/20 0.65
▸ HTR2A P28223 3/20 0.65
▸ KMT2A Q03164 1/20 0.65
▸ ADRA1A P35348 1/20 0.65
▸ HTR1F P30939 1/20 0.63
▸ SCN9A Q15858 1/20 0.40
▸ SLC6A4 P31645 1/20 0.35
▸ CACNA1C Q13936 2/20 0.33
▸ SCN5A Q14524 2/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33

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
SCHEMBL5954643 1.00 HTR1D (0.65) HTR1DHTR1BHTR1AHTR2AKMT2A
Zolmitriptan SCHEMBL14187282 0.79 HTR1D (0.81) HTR1DHTR1BHTR1AHTR2AKMT2A
Zolmitriptan SCHEMBL2376692 0.79 HTR1D (0.90) HTR1DHTR1BHTR1AHTR2AKMT2A
Zolmitriptan SCHEMBL33336 0.79 HTR1D (1.00) HTR1DHTR1BHTR1AHTR2AKMT2A
Zolmitriptan SCHEMBL14861150 0.79 HTR1D (1.00) HTR1DHTR1BHTR1AHTR2AKMT2A
Zolmitriptan SCHEMBL29835946 0.79 HTR1D (1.00) HTR1DHTR1BHTR1AHTR2AKMT2A
Zolmitriptan SCHEMBL4427888 0.79 HTR1D (1.00) HTR1DHTR1BHTR1AHTR2AKMT2A
Zolmitriptan SCHEMBL40595 0.79 HTR1D (1.00) HTR1DHTR1BHTR1AHTR2AKMT2A
Zolmitriptan SCHEMBL29356689 0.79 HTR1D (1.00) HTR1DHTR1BHTR1AHTR2AKMT2A
Zolmitriptan SCHEMBL1246512 0.79 HTR1D (1.00) 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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