Naratriptan

Naratriptan

SCHEMBL3968691

CN(C)CCc1c[nH]c2ccc(C[C@H]3COC(=O)N3)cc12.CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12.CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1.CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

HTR1BHTR1D

The experimentally established mechanism targets of Naratriptan. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR1D known ✓ P28221 17/20 0.52
▸ HTR1B known ✓ P28222 17/20 0.52
▸ HTR1A P08908 8/20 0.52
▸ HTR2A P28223 6/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ ADRA1A P35348 1/20 0.52
▸ HTR2B P41595 3/20 0.49
▸ HTR2C P28335 2/20 0.49
▸ ADRA2C P18825 1/20 0.49
▸ HRH1 P35367 1/20 0.49
▸ HTR1F P30939 2/20 0.46
▸ HTR5A P47898 2/20 0.46
▸ HTR1E P28566 1/20 0.46
▸ HTR7 P34969 1/20 0.46
▸ HTR3A P46098 1/20 0.46
▸ SLC47A1 Q96FL8 1/20 0.46
▸ LMNA P02545 1/20 0.38
▸ ADRA2B P18089 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38

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
Naratriptan SCHEMBL6235276 0.90 HTR1D (0.64) HTR1DHTR1BHTR1AHTR2AKMT2A
Naratriptan SCHEMBL4946618 0.89 HTR1D (0.65) HTR1DHTR1BHTR1AHTR2AHTR2B
Naratriptan SCHEMBL7865288 0.83 HTR1D (0.76) HTR1DHTR1BHTR1AHTR2AKMT2A
Zolmitriptan SCHEMBL1585070 0.83 HTR1D (0.76) HTR1DHTR1BHTR1AHTR2AKMT2A
Zolmitriptan SCHEMBL2484184 0.80 HTR1D (0.82) HTR1DHTR1BHTR1AHTR2AKMT2A
Rizatriptan SCHEMBL1584683 0.79 HTR1A (0.79) HTR1DHTR1BHTR1AHTR2AHTR2B
Zolmitriptan SCHEMBL6272592 0.77 HTR1D (0.65) HTR1DHTR1BHTR1AHTR2AKMT2A
SCHEMBL7804355 0.74 HTR1D (0.70) HTR1DHTR1BHTR1AHTR2AKMT2A
SCHEMBL9672029 0.74 HTR1D (0.70) HTR1DHTR1BHTR1AHTR2AKMT2A
Naratriptan SCHEMBL8716118 0.73 HTR1D (0.70) HTR1DHTR1BHTR1AHTR2AHTR2B

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-2081893-A2 SUBSTITUTED INDOLES Auspex Pharmaceuticals, Inc. (US) 2009-07-29 — — EP disclosed
WO-2008049116-A2 SUBSTITUTED INDOLES AUSPEX PHARMACEUTICALS, INC. (US) 2008-04-24 — — WO disclosed
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