SCHEMBL7657736

SCHEMBL7657736

CCNC1CCc2[nH]c3ccc(NC(=O)c4cccnc4)cc3c2C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 1/20 0.49
MAPKAPK2 P49137 3/20 0.47
HTR1A P08908 2/20 0.46
HTR1B P28222 2/20 0.46
HTR1D P28221 1/20 0.46
RAB9A P51151 6/20 0.45
NPC1 O15118 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
ALDH1A1 P00352 2/20 0.45
TP53 P04637 1/20 0.45
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
HTR1E P28566 1/20 0.44
HTR7 P34969 1/20 0.44
OPRM1 P35372 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
MAPT P10636 1/20 0.44
GFER P55789 1/20 0.44
HTT P42858 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
SCHEMBL7664645 0.89 HTR1F (0.55) HTR1FHTR1AHTR1BHTR1DALDH1A1
SCHEMBL7656407 0.89 HTR1F (0.56) HTR1FHTR1AHTR1BHTR1DSMN1; SMN2
SCHEMBL7657572 0.85 HTR1F (0.51) HTR1FHTR1AHTR1BHTR1DRAB9A
SCHEMBL8109238 0.85 HTR1F (0.57) HTR1FMAPKAPK2RAB9ANPC1SMN1; SMN2
SCHEMBL7657219 0.85 HTR1F (0.51) HTR1FHTR1AHTR1BHTR1DRAB9A
SCHEMBL7664604 0.85 JAK2 (0.50) HTR1FMAPKAPK2HTR1AHTR1BHTR1D
SCHEMBL7662604 0.85 HTR1F (0.57) HTR1FHTR1AHTR1BHTR1DRAB9A
SCHEMBL7658590 0.84 HTR1F (0.58) HTR1FHTR1AHTR1BHTR1DALDH1A1
SCHEMBL7665360 0.84 HTR1F (0.58) HTR1FHTR1AHTR1BHTR1DALDH1A1
SCHEMBL7657726 0.84 HTR1F (0.70) HTR1FMAPKAPK2RAB9ANPC1SMN1; SMN2

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