SCHEMBL7486164

SCHEMBL7486164

CN1CCC(c2c[nH]c3ccc(NS(=O)(=O)N(C)C)cc23)CC1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.66
HTR1D P28221 12/20 0.64
HTR1B P28222 12/20 0.64
HTR1A P08908 2/20 0.64
HTR1F P30939 2/20 0.64
APP P05067 1/20 0.64
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
THPO P40225 1/20 0.57

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
SCHEMBL7486973 0.85 HTR1D (0.67) HTR6HTR1DHTR1BHTR1AHTR1F
SCHEMBL7485141 0.83 HTR6 (0.89) HTR6HTR1DHTR1BHTR1AHTR1F
Oxalic Acid SCHEMBL7487604 0.83 HTR1D (0.68) HTR6HTR1DHTR1BHTR1AHTR1F
SCHEMBL7488666 0.81 HTR6 (0.79) HTR6HTR1DHTR1BHTR1AHTR1F
SCHEMBL7480574 0.80 HTR1D (0.78) HTR6HTR1DHTR1BHTR1AHTR1F
SCHEMBL3138826 0.79 HTR6 (1.00) HTR6HTR1DHTR1BHTR1AHTR1F
SCHEMBL9793627 0.79 HTR1D (0.56) HTR6HTR1DHTR1BHTR1AHTR1F
SCHEMBL9793622 0.79 HTR1D (0.56) HTR6HTR1DHTR1BHTR1AHTR1F
SCHEMBL3148850 0.79 HTR6 (1.00) HTR6HTR1DHTR1BHTR1AHTR1F
SCHEMBL3154435 0.79 HTR6 (1.00) HTR6HTR1DHTR1BHTR1AHTR1F

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0733628-B9 5-Substituted-3-(1,2,3,6-tetrahydropyridin-4-yl)- and 3-(piperidin-4-yl)-1H-indoles: 5-HT1F agonists LILLY CO ELI (US) 2002-06-12 EP disclosed
US-6380201-B1 Methods of treating or ameliorating the symptoms of common cold or allergic rhinitis with serotonin 5-HT1F agonists ELI LILLY AND COMPANY 2002-04-30 US disclosed
EP-0733628-B1 5-Substituted-3-(1,2,3,6-tetrahydropyridin-4-yl)- and 3-(piperidin-4-yl)-1H-indoles: 5-HT1F agonists LILLY CO ELI (US) 2000-12-27 EP disclosed
US-5962473-A Methods of treating or ameliorating the symptoms of common cold or allergic rhinitis with serotonin 5-HT1F ELI LILLY AND COMPANY (US) 1999-10-05 US disclosed
US-5962474-A ANALGESICS; HEADACHES ELI LILLY AND COMPANY (US) 1999-10-05 US disclosed
EP-0832650-A2 Use of serotonin 5-HT1F agonists for the prevention of migraine ELI LILLY AND COMPANY (US) 1998-04-01 EP disclosed
EP-0824917-A2 Use of a serotonin 5-HTlf agonist in the manufacture of a medicament for treating or ameliorating the symptoms of common cold or allergic rhinitis ELI LILLY AND COMPANY (US) 1998-02-25 EP disclosed
US-5708008-A TREATMENT OF MIGRAINE ELI LILLY AND COMPANY (US) 1998-01-13 US disclosed
WO-1996029075-A1 5-SUBSTITUTED-3-(1,2,3,6-TETRAHYDROPYRIDIN-4-YL)- AND 3-(PIPERIDIN-4-YL)-1H-INDOLES: NEW 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 1996-09-26 WO disclosed
EP-0733628-A1 5-Substituted-3-(1,2,3,6-tetrahydropyridin-4-yl)- and 3-(piperidin-4-yl)-1h-indoles: new 5-ht1f agonists ELI LILLY AND COMPANY (US) 1996-09-25 EP disclosed