SCHEMBL7659679

SCHEMBL7659679

CCNC1CCc2c([nH]c3ccc(NC(=O)OC(C)(C)C)cc23)C1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RB1 P06400 6/20 0.47
SIRT1 Q96EB6 2/20 0.41
HTR1F P30939 1/20 0.40
HTR1A P08908 2/20 0.40
DRD2 P14416 1/20 0.40
RORC P51449 1/20 0.39

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
SCHEMBL7662076 0.92 HTR1A (0.48) HTR1FHTR1ADRD2
SCHEMBL7666175 0.83 HTR1A (0.50) HTR1FHTR1ADRD2
SCHEMBL7659677 0.82 HTR1F (0.57) SIRT1HTR1FRORC
SCHEMBL7665950 0.82 HTR1F (0.57) SIRT1HTR1FRORC
SCHEMBL7653801 0.81 HTR1A (0.48) HTR1FHTR1ADRD2
SCHEMBL7204477 0.81 HTR1F (0.64) RB1HTR1FHTR1ADRD2
SCHEMBL7662511 0.78 HTR1A (0.46) HTR1FHTR1ADRD2
SCHEMBL7655526 0.78 HTR1A (0.51) HTR1FHTR1ADRD2
SCHEMBL7659301 0.77 HTR1F (0.54) HTR1FHTR1ADRD2
SCHEMBL7662072 0.76 HTR1F (0.68) HTR1FHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-5814653-A SUMATRIPTAN FOR RELIEF OF MIGRAINE PAIN AND OTHER DISORDERS ASSOCIATED WITH PEPTIDE EXTRAVASATION DIE TO STUMULATION OF THE TRIGEMINAL GANGLIA; 5-HT 1F AGONISTS ELI LILLY AND COMPANY (US) 1998-09-29 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-5708187-A MIGRANE HEADACHES ELI LILLY AND COMPANY (US) 1998-01-13 US disclosed
EP-0749962-A1 6-substituted-1,2,3,4-tetrahydro-9H-carbazoles and 7-substituted-10H-cyclohepta(7,6-B)indoles ELI LILLY AND COMPANY (US) 1996-12-27 EP disclosed