SCHEMBL7653801

SCHEMBL7653801

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.48
HTR1B P28222 2/20 0.48
HTR1D P28221 1/20 0.48
HTR1F P30939 1/20 0.47
DRD2 P14416 2/20 0.46
DRD4 P21917 1/20 0.46
HTR1E P28566 1/20 0.46
HTR7 P34969 1/20 0.46
OPRM1 P35372 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
PABPC1 P11940 1/20 0.44
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 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
SCHEMBL7666175 0.92 HTR1A (0.50) HTR1AHTR1BHTR1DHTR1FDRD2
SCHEMBL7662511 0.91 HTR1A (0.46) HTR1AHTR1BHTR1DHTR1FDRD2
SCHEMBL7662076 0.89 HTR1A (0.48) HTR1AHTR1BHTR1DHTR1FDRD2
SCHEMBL7655526 0.87 HTR1A (0.51) HTR1AHTR1BHTR1DHTR1FDRD2
SCHEMBL7658590 0.85 HTR1F (0.58) HTR1AHTR1BHTR1DHTR1FDRD2
SCHEMBL7659301 0.85 HTR1F (0.54) HTR1AHTR1BHTR1DHTR1FDRD2
SCHEMBL7657003 0.84 HTR1F (0.48) HTR1AHTR1BHTR1DHTR1FDRD2
SCHEMBL7659496 0.84 HTR1A (0.48) HTR1AHTR1BHTR1DHTR1FDRD2
SCHEMBL7656407 0.84 HTR1F (0.56) HTR1AHTR1BHTR1DHTR1FDRD2
SCHEMBL7653794 0.84 HTR1F (0.67) HTR1AHTR1BHTR1DHTR1FDRD2

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