SCHEMBL7659740

SCHEMBL7659740

CCNC1CCc2[nH]c3ccc(O)cc3c2C1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.52
HTR1B P28222 2/20 0.52
HTR1D P28221 1/20 0.52
DRD2 P14416 2/20 0.48
DRD4 P21917 1/20 0.48
HTR1E P28566 1/20 0.48
HTR7 P34969 1/20 0.48
OPRM1 P35372 1/20 0.48
TMEM97 Q5BJF2 1/20 0.48
HTR2A P28223 2/20 0.46
HTR2C P28335 2/20 0.46
RB1 P06400 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SIRT1 Q96EB6 1/20 0.44

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
Hydrochloric Acid SCHEMBL7658772 0.89 HTR1A (0.55) HTR1AHTR1BHTR1DDRD2DRD4
SCHEMBL8559020 0.86 EGFR (0.50) HTR1BHTR1DRB1
SCHEMBL7659697 0.86 HTR1B (0.68) HTR1AHTR1BHTR1DDRD2DRD4
SCHEMBL7658626 0.85 HTR1B (0.52) HTR1AHTR1BHTR1DDRD2DRD4
SCHEMBL11421135 0.85 HTR1A (0.46) HTR1AHTR1BHTR1DDRD2DRD4
SCHEMBL7666050 0.84 HTR1B (0.49) HTR1AHTR1BHTR1DDRD2DRD4
Hydrochloric Acid SCHEMBL6963320 0.84 MAPT (0.50) HTR1AHTR1BHTR1DDRD2DRD4
Hydrochloric Acid SCHEMBL7653864 0.84 HTR1B (0.51) HTR1AHTR1BHTR1DDRD2DRD4
Hydrochloric Acid SCHEMBL11421146 0.84 HTR1A (0.45) HTR1AHTR1BHTR1DDRD2DRD4
Hydrochloric Acid SCHEMBL7661944 0.83 HTR1A (0.48) HTR1AHTR1BHTR1DDRD2DRD4

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 7 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
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