SCHEMBL7658403

SCHEMBL7658403

CN(C)[C@H]1CCc2c([nH]c3ccc(Br)cc23)C1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.58
MAPT P10636 1/20 0.55
SLC6A4 P31645 3/20 0.47
HTR1F P30939 1/20 0.45
HSD17B10 Q99714 1/20 0.44
BAZ2B Q9UIF8 2/20 0.43
DHODH Q02127 1/20 0.43
HTR6 P50406 2/20 0.42
HTR1D P28221 3/20 0.42
HTR1B P28222 3/20 0.42
RB1 P06400 1/20 0.41

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
SCHEMBL7657746 1.00 SIRT1 (0.58) SIRT1MAPTSLC6A4HTR1FHSD17B10
SCHEMBL7662514 1.00 SIRT1 (0.58) SIRT1MAPTSLC6A4HTR1FHSD17B10
Iodide SCHEMBL7660764 0.99 SIRT1 (0.57) SIRT1MAPTSLC6A4HTR1FHSD17B10
SCHEMBL6964061 0.89 HTR1F (0.55) SIRT1MAPTSLC6A4HTR1FHSD17B10
Hydrochloric Acid SCHEMBL6959661 0.88 HTR1F (0.54) SIRT1MAPTSLC6A4HTR1FHSD17B10
Iodide SCHEMBL6963382 0.88 HTR1F (0.54) SIRT1MAPTSLC6A4HTR1FHSD17B10
Iodide SCHEMBL6963386 0.88 HTR1F (0.54) SIRT1MAPTSLC6A4HTR1FHSD17B10
SCHEMBL7657750 0.75 SIRT1 (0.58) SIRT1MAPTHSD17B10BAZ2BDHODH
SCHEMBL1874857 0.75 SIRT1 (0.79) SIRT1MAPTHSD17B10BAZ2BDHODH
Iodide SCHEMBL7660767 0.74 SIRT1 (0.57) SIRT1MAPTHSD17B10BAZ2BDHODH

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