SCHEMBL7665368

SCHEMBL7665368

CN(C)C1CCc2[nH]c3ccc(NC(=O)c4ccc(F)cc4)cc3c2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 3/20 1.00
HTR1D P28221 4/20 0.48
HTR1B P28222 3/20 0.48
HTR1A P08908 2/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
MCHR1 Q99705 1/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ESR1 P03372 1/20 0.44
MAPKAPK2 P49137 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
STK17B O94768 1/20 0.43
STK17A Q9UEE5 1/20 0.43
TP53 P04637 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 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
SCHEMBL8110900 1.00 HTR1F (1.00) HTR1FHTR1DHTR1BHTR1AKMT2A
Hydrochloric Acid SCHEMBL30819314 0.99 HTR1F (0.98) HTR1FHTR1DHTR1BHTR1AKMT2A
SCHEMBL7204474 0.93 HTR1F (0.87) HTR1FHTR1DHTR1BHTR1AMAPT
SCHEMBL7655540 0.93 HTR1F (0.87) HTR1FHTR1DHTR1BHTR1AMAPT
SCHEMBL7664552 0.92 HTR1F (0.85) HTR1FHTR1DHTR1BHTR1AKMT2A
SCHEMBL7656271 0.91 HTR1F (0.84) HTR1FHTR1DHTR1BHTR1AKMT2A
SCHEMBL7665351 0.91 HTR1F (0.83) HTR1FHTR1DHTR1BHTR1AKMT2A
SCHEMBL7658586 0.91 HTR1F (0.83) HTR1FHTR1DHTR1BHTR1AKMT2A
SCHEMBL7660809 0.90 HTR1F (0.82) HTR1FHTR1DHTR1BHTR1AKMT2A
SCHEMBL7660390 0.90 HTR1F (0.82) HTR1FHTR1DHTR1BHTR1AKMT2A

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3160464-A1 USE OF BUSPIRONE METABOLITES Contera Pharma APS (DK) 2017-05-03 EP claimed
WO-2015197079-A1 USE OF BUSPIRONE METABOLITES CONTERA PHARMA APS (DK) 2015-12-30 WO claimed
US-11478476-B2 Use of buspirone metabolites CONTERA PHARMA APS (DK) 2022-10-25 US disclosed
EP-3160464-B1 6-HYDROXYBUSPIRONE FOR USE IN THE TREATMENT OF MOVEMENT DISORDERS CONTERA PHARMA APS (DK) 2018-07-18 EP disclosed
US-20170128446-A1 USE OF BUSPIRONE METABOLITES CONTERA PHARMA APS (DK) 2017-05-11 US disclosed
EP-3160464-A1 USE OF BUSPIRONE METABOLITES Contera Pharma APS (DK) 2017-05-03 EP disclosed
WO-2015197079-A1 USE OF BUSPIRONE METABOLITES CONTERA PHARMA APS (DK) 2015-12-30 WO disclosed
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