SCHEMBL4795536

SCHEMBL4795536

O=C1N[C@@H](Cc2ccc([AsH2])cc2)CO1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 7/20 0.46
▸ HTR1B P28222 7/20 0.46
▸ HTR1A P08908 4/20 0.45
▸ HTR2A P28223 3/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ ADRA1A P35348 1/20 0.45
▸ HTR1F P30939 1/20 0.44
▸ CACNA1C Q13936 5/20 0.38
▸ SCN5A Q14524 5/20 0.38
▸ KCNH2 Q12809 3/20 0.38
▸ S1PR1 P21453 1/20 0.37
▸ SCN9A Q15858 1/20 0.36
▸ CSF1R P07333 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ NCOR2 Q9Y618 1/20 0.33
▸ MAOB P27338 1/20 0.32

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
SCHEMBL4795544 1.00 HTR1D (0.46) HTR1DHTR1BHTR1AHTR2AKMT2A
SCHEMBL825618 0.83 HTR1D (0.49) HTR1DHTR1BHTR1AHTR2AKMT2A
SCHEMBL15304333 0.83 HTR1D (0.48) HTR1DHTR1BHTR1AHTR2AKMT2A
SCHEMBL15947200 0.83 HTR1D (0.48) HTR1DHTR1BHTR1AHTR2AKMT2A
SCHEMBL3647546 0.83 CACNA1C (0.50) HTR1DHTR1BHTR1AHTR2AKMT2A
SCHEMBL2477224 0.83 HTR1D (0.46) HTR1DHTR1BHTR1AHTR2AKMT2A
SCHEMBL5311822 0.83 HTR1D (0.49) HTR1DHTR1BHTR1AHTR2AKMT2A
SCHEMBL531572 0.83 HTR1D (0.48) HTR1DHTR1BHTR1AHTR2AKMT2A
SCHEMBL3647544 0.83 CACNA1C (0.50) HTR1DHTR1BHTR1AHTR2AKMT2A
SCHEMBL825617 0.83 HTR1D (0.49) 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
WO-2008007390-A2 AN IMPROVED PROCESS FOR PURIFICATION OF ZOLMITRIPTAN NATCO PHARMA LIMITED (IN) 2008-01-17 — — WO disclosed
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