SCHEMBL7660697

SCHEMBL7660697

CN(C)C1CCc2[nH]c3ccc(NC(=O)c4cccc(F)c4F)cc3c2C1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 1/20 0.70
AURKA O14965 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
CASP1 P29466 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CRACR2A Q9BSW2 2/20 0.41
AURKB Q96GD4 1/20 0.39
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
PARP1 P09874 1/20 0.39
STK17A Q9UEE5 2/20 0.39
STK17B O94768 1/20 0.39
DCLK1 O15075 1/20 0.38

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
SCHEMBL7658859 0.93 HTR1F (0.73) HTR1FKMT2AMAPTMEN1KDM4E
SCHEMBL7654358 0.86 HTR1F (0.66) HTR1FKMT2AMAPTMEN1KDM4E
SCHEMBL7659577 0.86 HTR1F (0.78) HTR1FAURKAKMT2AMAPTMEN1
SCHEMBL7656955 0.86 HTR1F (0.78) HTR1FKMT2AMAPTMEN1KDM4E
SCHEMBL7656996 0.86 HTR1F (0.68) HTR1FKMT2AMAPTMEN1KDM4E
SCHEMBL7655584 0.85 HTR1F (0.65) HTR1FKMT2AMAPTMEN1KDM4E
SCHEMBL7663021 0.85 HTR1F (0.67) HTR1FKMT2AMAPTMEN1KDM4E
SCHEMBL7662597 0.84 HTR1F (0.81) HTR1FKMT2AMAPTMEN1KDM4E
SCHEMBL7660703 0.84 HTR1F (0.49) HTR1FAURKAKMT2AMAPTMEN1
SCHEMBL8116686 0.83 HTR1F (0.65) HTR1FKMT2AMAPTMEN1KDM4E

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