SCHEMBL7660418

SCHEMBL7660418

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

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 1/20 0.78
RORC P51449 1/20 0.52
MCHR1 Q99705 1/20 0.48
LRRK2 Q5S007 2/20 0.48
ESR1 P03372 1/20 0.47
ITK Q08881 1/20 0.46
MAPKAPK2 P49137 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
HTR1B P28222 3/20 0.44
HTR1A P08908 2/20 0.44
HTR1D P28221 1/20 0.44
ROCK2 O75116 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
HTR1E P28566 1/20 0.42

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
SCHEMBL7665351 0.88 HTR1F (0.83) HTR1FKMT2AMEN1HTR1BHTR1A
SCHEMBL7658586 0.88 HTR1F (0.83) HTR1FMCHR1MAPKAPK2KMT2AMEN1
SCHEMBL8110900 0.87 HTR1F (1.00) HTR1FMCHR1ESR1MAPKAPK2KMT2A
SCHEMBL7655276 0.87 HTR1F (0.82) HTR1FMCHR1MAPKAPK2KMT2AMEN1
SCHEMBL7659598 0.87 HTR1F (0.82) HTR1FKMT2AMEN1HTR1BHTR1A
SCHEMBL7660390 0.87 HTR1F (0.82) HTR1FESR1MAPKAPK2KMT2AMEN1
SCHEMBL7665368 0.87 HTR1F (1.00) HTR1FMCHR1ESR1MAPKAPK2KMT2A
SCHEMBL7656398 0.87 HTR1F (0.81) HTR1FITKKMT2AMEN1HTR1B
Hydrochloric Acid SCHEMBL30819314 0.87 HTR1F (0.98) HTR1FMCHR1ESR1MAPKAPK2KMT2A
SCHEMBL7656271 0.87 HTR1F (0.84) HTR1FESR1KMT2AMEN1HTR1B

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