SCHEMBL7659697

SCHEMBL7659697

CNC1CCc2[nH]c3ccc(O)cc3c2C1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 4/20 0.68
HTR1A P08908 2/20 0.68
HTR1D P28221 2/20 0.68
DRD2 P14416 1/20 0.59
DRD4 P21917 1/20 0.59
HTR1E P28566 1/20 0.59
HTR7 P34969 1/20 0.59
OPRM1 P35372 1/20 0.59
TMEM97 Q5BJF2 1/20 0.59
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
EGFR P00533 1/20 0.44
IGF1R P08069 1/20 0.44
FLT4 P35916 1/20 0.44
KDR P35968 1/20 0.44
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43

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
SCHEMBL7659740 0.86 HTR1A (0.52) HTR1BHTR1AHTR1DDRD2DRD4
SCHEMBL28834665 0.84 HTR1B (0.65) HTR1BHTR1AHTR1DDRD2DRD4
SCHEMBL19847265 0.84 HTR1B (0.68) HTR1BHTR1AHTR1DDRD2DRD4
SCHEMBL7666050 0.83 HTR1B (0.49) HTR1BHTR1AHTR1DDRD2DRD4
Hydrochloric Acid SCHEMBL7658772 0.83 HTR1A (0.55) HTR1BHTR1AHTR1DDRD2DRD4
SCHEMBL7030069 0.82 HTR1B (0.80) HTR1BHTR1AHTR1DDRD2DRD4
Hydrochloric Acid SCHEMBL7661944 0.82 HTR1A (0.48) HTR1BHTR1AHTR1DDRD2DRD4
Frovatriptan SCHEMBL16365906 0.81 HTR1B (1.00) HTR1BHTR1AHTR1DDRD2DRD4
Frovatriptan SCHEMBL2456983 0.81 HTR1B (1.00) HTR1BHTR1AHTR1DDRD2DRD4
Frovatriptan SCHEMBL34410 0.81 HTR1B (1.00) HTR1BHTR1AHTR1DDRD2DRD4

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
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
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