SCHEMBL7656271

SCHEMBL7656271

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

nearest known ligand 0.84

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 1/20 0.84
TRPV4 Q9HBA0 2/20 0.47
ESR1 P03372 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
HTR1B P28222 2/20 0.45
HTR1A P08908 1/20 0.45
HTR1D P28221 1/20 0.45
TRPV1 Q8NER1 3/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
PTGS1 P23219 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 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
SCHEMBL8110900 0.91 HTR1F (1.00) HTR1FESR1KMT2AMEN1HTR1B
SCHEMBL7665368 0.91 HTR1F (1.00) HTR1FESR1KMT2AMEN1HTR1B
Hydrochloric Acid SCHEMBL30819314 0.90 HTR1F (0.98) HTR1FESR1KMT2AMEN1HTR1B
SCHEMBL7665351 0.90 HTR1F (0.83) HTR1FKMT2AMEN1HTR1BHTR1A
SCHEMBL7658586 0.90 HTR1F (0.83) HTR1FKMT2AMEN1HTR1BHTR1A
SCHEMBL7664634 0.89 HTR1F (0.79) HTR1FKMT2AMEN1HTR1BHTR1A
SCHEMBL7655276 0.89 HTR1F (0.82) HTR1FKMT2AMEN1HTR1BHTR1A
SCHEMBL7659598 0.89 HTR1F (0.82) HTR1FKMT2AMEN1HTR1BHTR1A
SCHEMBL7660390 0.89 HTR1F (0.82) HTR1FESR1KMT2AMEN1HTR1B
SCHEMBL7656398 0.89 HTR1F (0.81) HTR1FKMT2AMEN1HTR1BHTR1A

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