SCHEMBL7654350

SCHEMBL7654350

CCCNC1CCc2[nH]c3ccc(OCc4ccccc4)cc3c2C1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 3/20 0.51
HTR1B P28222 3/20 0.51
RB1 P06400 1/20 0.48
ADRA1A P35348 2/20 0.47
HTR1A P08908 2/20 0.46
MAPKAPK2 P49137 1/20 0.46
DRD2 P14416 1/20 0.46
EGFR P00533 1/20 0.46
IGF1R P08069 1/20 0.46
FLT4 P35916 1/20 0.46
KDR P35968 1/20 0.46
ADRA1D P25100 1/20 0.44
ADRA1B P35368 1/20 0.44

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
SCHEMBL7655639 0.92 HTR1D (0.50) HTR1DHTR1BRB1ADRA1AMAPKAPK2
SCHEMBL7656208 0.91 EGFR (0.53) HTR1DHTR1BRB1ADRA1AMAPKAPK2
SCHEMBL7662787 0.88 HTR1B (0.53) HTR1DHTR1BRB1ADRA1AHTR1A
SCHEMBL8559020 0.88 EGFR (0.50) HTR1DHTR1BRB1ADRA1AMAPKAPK2
SCHEMBL7657062 0.86 EGFR (0.51) HTR1DHTR1BRB1ADRA1AMAPKAPK2
SCHEMBL7655690 0.86 EGFR (0.53) HTR1DHTR1BRB1ADRA1AMAPKAPK2
Hydrochloric Acid SCHEMBL7654439 0.85 EGFR (0.52) HTR1DHTR1BRB1ADRA1AMAPKAPK2
SCHEMBL7661161 0.84 EGFR (0.43) HTR1DHTR1BRB1ADRA1AMAPKAPK2
Hydrochloric Acid SCHEMBL8606288 0.84 EGFR (0.51) HTR1DHTR1BRB1ADRA1AMAPKAPK2
Hydrochloric Acid SCHEMBL8604088 0.84 EGFR (0.44) HTR1DHTR1BRB1ADRA1AHTR1A

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 9 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
WO-1998011895-A1 A METHOD FOR THE PREVENTION OF MIGRAINE ELI LILLY AND COMPANY (US) 1998-03-26 WO 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