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Sugi Predict / Compounds / Naratriptan

Naratriptan

Naratriptan

SCHEMBL17596378

CN(C)CCOC(c1ccccc1)c1ccccc1.CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1.Cn1c(=O)c2c(ncn2CC(=O)O)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)O)n(C)c1=O

nearest known ligand 0.51

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 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1D known ✓ P28221 2/20 0.51
▸ HTR1B known ✓ P28222 2/20 0.51
▸ HTR1A P08908 2/20 0.51
▸ MAPK1 P28482 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ APEX1 P27695 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ CYP1A2 P05177 2/20 0.36
▸ CHRM2 P08172 2/20 0.36
▸ CHRM1 P11229 2/20 0.36
▸ ADRA1D P25100 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CHRM4 P08173 1/20 0.36
▸ CHRM5 P08912 1/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36

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 SCHEMBL17595421 0.84 ALDH1A1 (0.57) HTR1AHTR1DHTR1BCYP1A2CHRM2
Sumatriptan SCHEMBL17596162 0.83 HTR1A (0.49) HTR1AHTR1DHTR1BMAPK1TDP1
Eletriptan SCHEMBL17595770 0.80 HTR1B (0.56) HTR1AHTR1DHTR1BMAPK1TDP1
Diphenhydramine SCHEMBL28086272 0.76 ADORA2B (0.62) MAPK1TDP1CYP1A2CHRM2CHRM1
Diphenhydramine SCHEMBL4317477 0.76 ADORA2B (0.62) MAPK1TDP1CYP1A2CHRM2CHRM1
Diphenhydramine SCHEMBL49392 0.76 ADORA2B (0.62) MAPK1TDP1CYP1A2CHRM2CHRM1
Diphenhydramine SCHEMBL6682222 0.76 ADORA2B (0.62) MAPK1TDP1CYP1A2CHRM2CHRM1
Zolmitriptan SCHEMBL17595394 0.76 HTR1D (0.53) HTR1AHTR1DHTR1BMAPK1TDP1
Rizatriptan SCHEMBL17595763 0.76 HTR1D (0.53) HTR1AHTR1DHTR1BMAPK1TDP1
Benztropine SCHEMBL28142853 0.73 ADORA2B (0.49) HTR1AMAPK1TDP1CYP1A2CHRM2

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-3191093-A1 PHARMACEUTICAL COMPOSITIONS Charleston Laboratories, Inc. (US) 2017-07-19 — — EP disclosed
WO-2016040358-A1 PHARMACEUTICAL COMPOSITIONS CHARLESTON LABORATORIES, INC. (US) 2016-03-17 — — WO disclosed