SCHEMBL7664459

SCHEMBL7664459

COc1ccc(C(=O)Nc2ccc3[nH]c4c(c3c2)CC(N(C)C)CC4)cc1

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 1/20 0.79
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
RAB9A P51151 3/20 0.48
HTR1D P28221 1/20 0.48
HTR1B P28222 1/20 0.48
MCHR1 Q99705 1/20 0.47
STK17B O94768 1/20 0.47
STK17A Q9UEE5 1/20 0.47
NPC1 O15118 2/20 0.46
TP53 P04637 1/20 0.45
ALOX15 P16050 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL7666368 0.90 HTR1F (0.69) HTR1FMEN1KMT2AMAPTKDM4E
SCHEMBL7658586 0.89 HTR1F (0.83) HTR1FMEN1KMT2AMAPTKDM4E
SCHEMBL7665351 0.89 HTR1F (0.83) HTR1FMEN1KMT2AMAPTKDM4E
SCHEMBL7659598 0.88 HTR1F (0.82) HTR1FMEN1KMT2AMAPTKDM4E
SCHEMBL7665368 0.88 HTR1F (1.00) HTR1FMEN1KMT2AMAPTALDH1A1
SCHEMBL7660390 0.88 HTR1F (0.82) HTR1FMEN1KMT2AMAPTKDM4E
SCHEMBL7655276 0.88 HTR1F (0.82) HTR1FMEN1KMT2AMAPTKDM4E
SCHEMBL8110900 0.88 HTR1F (1.00) HTR1FMEN1KMT2AMAPTALDH1A1
SCHEMBL7656398 0.88 HTR1F (0.81) HTR1FMEN1KMT2AMAPTKDM4E
SCHEMBL7656271 0.87 HTR1F (0.84) HTR1FMEN1KMT2AMAPTALDH1A1

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