SCHEMBL7657750

SCHEMBL7657750

CCNC1CCc2c([nH]c3ccc(Br)cc23)C1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 2/20 0.58
RB1 P06400 9/20 0.57
MAPT P10636 1/20 0.51
BAZ2B Q9UIF8 2/20 0.41
HSD17B10 Q99714 1/20 0.41
DHODH Q02127 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
Iodide SCHEMBL7660767 0.99 SIRT1 (0.57) SIRT1RB1MAPTBAZ2BHSD17B10
Hydrochloric Acid SCHEMBL6963320 0.89 MAPT (0.50) SIRT1RB1MAPTBAZ2BHSD17B10
Hydrochloric Acid SCHEMBL11271931 0.81 RB1 (0.70) RB1
SCHEMBL11269215 0.81 SIRT1 (0.62) SIRT1RB1MAPTBAZ2B
SCHEMBL7658403 0.75 SIRT1 (0.58) SIRT1RB1MAPTBAZ2BHSD17B10
SCHEMBL7662514 0.75 SIRT1 (0.58) SIRT1RB1MAPTBAZ2BHSD17B10
SCHEMBL7657746 0.75 SIRT1 (0.58) SIRT1RB1MAPTBAZ2BHSD17B10
SCHEMBL7659679 0.75 RB1 (0.47) SIRT1RB1
SCHEMBL7658626 0.75 HTR1B (0.52) RB1BAZ2B
SCHEMBL7659740 0.75 HTR1A (0.52) SIRT1RB1

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 8 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
EP-0749962-B1 6-substituted-1,2,3,4-tetrahydro-9H-carbazoles and 7-substituted-10H-cyclohepta(7,6-B)indoles LILLY CO ELI (US) 2000-11-02 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-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