SCHEMBL7656955

SCHEMBL7656955

CN(C)C1CCc2[nH]c3ccc(NC(=O)c4cc(F)ccc4F)cc3c2C1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 2/20 0.78
HTR1A P08908 4/20 0.44
SLC6A4 P31645 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR1B P28222 2/20 0.40
HTR1D P28221 1/20 0.40
BAZ2B Q9UIF8 1/20 0.39
VPS4B O75351 1/20 0.39

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
SCHEMBL7659577 0.93 HTR1F (0.78) HTR1FHTR1ASLC6A4NPC1RAB9A
SCHEMBL7658859 0.90 HTR1F (0.73) HTR1FNPC1RAB9ATDP1KMT2A
SCHEMBL7666026 0.89 HTR1F (0.75) HTR1FHTR1ASLC6A4KMT2AMEN1
SCHEMBL8110900 0.87 HTR1F (1.00) HTR1FHTR1ANPC1RAB9AKMT2A
SCHEMBL7665368 0.87 HTR1F (1.00) HTR1FHTR1ANPC1RAB9AKMT2A
Hydrochloric Acid SCHEMBL30819314 0.87 HTR1F (0.98) HTR1FHTR1ANPC1RAB9AKMT2A
SCHEMBL7660697 0.86 HTR1F (0.70) HTR1FHTR1AKMT2AMEN1KDM4E
SCHEMBL7660809 0.86 HTR1F (0.82) HTR1FHTR1ARAB9AKMT2AMEN1
SCHEMBL7664552 0.85 HTR1F (0.85) HTR1FHTR1ANPC1RAB9AKMT2A
SCHEMBL7662597 0.85 HTR1F (0.81) HTR1FHTR1ANPC1RAB9AKMT2A

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