SCHEMBL7653855

SCHEMBL7653855

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

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 1/20 0.76
RAB9A P51151 4/20 0.48
KMT2A Q03164 9/20 0.47
MEN1 O00255 8/20 0.47
MAPT P10636 7/20 0.47
STK17B O94768 1/20 0.47
STK17A Q9UEE5 1/20 0.47
NPC1 O15118 2/20 0.45
ALDH1A1 P00352 1/20 0.45
ATM Q13315 1/20 0.44
CASP3 P42574 1/20 0.44
CASP2 P42575 1/20 0.44
CASP7 P55210 1/20 0.44
CASP6 P55212 1/20 0.44
CASP8 Q14790 1/20 0.44
HTR1A P08908 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
HTT P42858 1/20 0.43
BAZ2B Q9UIF8 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
SCHEMBL7658586 0.88 HTR1F (0.83) HTR1FRAB9AKMT2AMEN1MAPT
SCHEMBL7665351 0.88 HTR1F (0.83) HTR1FRAB9AKMT2AMEN1MAPT
SCHEMBL7660390 0.87 HTR1F (0.82) HTR1FRAB9AKMT2AMEN1MAPT
SCHEMBL7665368 0.87 HTR1F (1.00) HTR1FRAB9AKMT2AMEN1MAPT
SCHEMBL8110900 0.87 HTR1F (1.00) HTR1FRAB9AKMT2AMEN1MAPT
SCHEMBL7655276 0.87 HTR1F (0.82) HTR1FRAB9AKMT2AMEN1MAPT
SCHEMBL7659598 0.87 HTR1F (0.82) HTR1FRAB9AKMT2AMEN1MAPT
SCHEMBL7656398 0.86 HTR1F (0.81) HTR1FKMT2AMEN1MAPTSTK17B
SCHEMBL7651487 0.86 HTR1F (0.78) HTR1FRAB9AKMT2AMEN1MAPT
SCHEMBL7656271 0.86 HTR1F (0.84) HTR1FKMT2AMEN1MAPTALDH1A1

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 10 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
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
WO-1998006402-A1 TREATMENT OF THE COMMON COLD OR ALLERGIC RHINITIS ELI LILLY AND COMPANY (US) 1998-02-19 WO 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