SCHEMBL7475958

SCHEMBL7475958

CN1CCC(c2c[nH]c3ccc(C(=O)c4ccc(F)cc4)cc23)CC1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 16/20 0.72
HTR1B P28222 13/20 0.72
HTR1F P30939 5/20 0.72
HTR1A P08908 4/20 0.72
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
THPO P40225 1/20 0.61
MAPT P10636 1/20 0.58
BLM P54132 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
HTR2A P28223 1/20 0.57
HTR2C P28335 1/20 0.57
HTR1E P28566 1/20 0.57
HTR4 Q13639 1/20 0.57
CHRM2 P08172 1/20 0.56
DRD2 P14416 1/20 0.56

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
SCHEMBL7485584 0.90 CYP1A2 (0.62) HTR1DHTR1BHTR1FHTR1ACYP1A2
SCHEMBL7482687 0.90 NOS1 (0.62) HTR1DHTR1BHTR1FHTR1ACYP1A2
SCHEMBL7482190 0.89 CYP1A2 (0.61) HTR1DHTR1BHTR1FHTR1ACYP1A2
SCHEMBL7490011 0.88 HTR1D (0.60) HTR1DHTR1BHTR1FHTR1ACYP1A2
SCHEMBL7478910 0.87 CYP1A2 (0.59) HTR1DHTR1BHTR1FHTR1ACYP1A2
SCHEMBL7482992 0.87 CYP1A2 (0.59) HTR1DHTR1BHTR1FHTR1ACYP1A2
SCHEMBL7480749 0.85 HTR1D (0.55) HTR1DHTR1BHTR1FHTR1ACYP1A2
SCHEMBL7485069 0.84 CYP1A2 (0.68) HTR1DHTR1BHTR1FHTR1ACYP1A2
SCHEMBL7488515 0.84 HTR1D (0.72) HTR1DHTR1BHTR1FHTR1ACYP1A2
SCHEMBL7481396 0.84 CYP1A2 (0.59) HTR1DHTR1BHTR1FHTR1ACYP1A2

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 13 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
CN-1184425-A 5-substituted-3- (1,2,3, 6-tetrahydropyridin-4-yl) -and 3- (piperidin-4-yl) -1H-indoles, 5-HT1FAgonists LILLY CO ELI (US) 1998-06-10 CN 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
WO-1998011895-A1 A METHOD FOR THE PREVENTION OF MIGRAINE ELI LILLY AND COMPANY (US) 1998-03-26 WO 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
WO-1998006402-A1 TREATMENT OF THE COMMON COLD OR ALLERGIC RHINITIS ELI LILLY AND COMPANY (US) 1998-02-19 WO 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