SCHEMBL7658743

SCHEMBL7658743

Cn1cc(CCNC2CCc3[nH]c4ccc(NC(=O)c5ccc(F)cc5)cc4c3C2)cn1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 5/20 0.60
HTR1D P28221 14/20 0.43
HTR1B P28222 13/20 0.43
HTR1A P08908 5/20 0.43
DRD2 P14416 2/20 0.41
DRD4 P21917 1/20 0.41
HTR1E P28566 1/20 0.41
HTR7 P34969 1/20 0.41
OPRM1 P35372 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
CHRM2 P08172 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
Hydrochloric Acid SCHEMBL7653782 0.99 HTR1F (0.59) HTR1FHTR1DHTR1BHTR1ADRD2
Hydrochloric Acid SCHEMBL7657938 0.91 HTR1F (0.55) HTR1FHTR1DHTR1BHTR1ADRD2
Hydrochloric Acid SCHEMBL7662400 0.88 HTR1F (0.63) HTR1FHTR1DHTR1BHTR1ADRD2
SCHEMBL7655326 0.86 HTR1F (0.61) HTR1FHTR1DHTR1BHTR1ADRD2
Hydrochloric Acid SCHEMBL7653732 0.86 HTR1F (0.60) HTR1FHTR1DHTR1BHTR1ADRD2
SCHEMBL7663838 0.83 HTR1F (0.70) HTR1FHTR1DHTR1BHTR1ADRD2
SCHEMBL7661463 0.82 EGFR (0.42) HTR1DHTR1BHTR1ADRD2DRD4
Bromide SCHEMBL7664575 0.82 HTR1F (0.69) HTR1FHTR1DHTR1BHTR1ADRD2
Hydrochloric Acid SCHEMBL7664415 0.81 EGFR (0.44) HTR1DHTR1BHTR1ADRD2DRD4
Oxalic Acid SCHEMBL7653789 0.80 HTR1F (0.66) HTR1FHTR1DHTR1BHTR1ADRD2

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