SCHEMBL7657617

SCHEMBL7657617

Cn1c2c(c3cc(O)ccc31)CC(CN)CC2

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.56
PTGS1 P23219 1/20 0.56
PTGS2 P35354 1/20 0.56
SLC6A4 P31645 1/20 0.37
CNR1 P21554 5/20 0.36
CNR2 P34972 3/20 0.36
EGFR P00533 2/20 0.36
IGF1R P08069 2/20 0.36
FLT4 P35916 2/20 0.36
KDR P35968 2/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35

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 SCHEMBL7662234 0.99 ALOX5 (0.54) ALOX5PTGS1PTGS2SLC6A4CNR1
SCHEMBL7656378 0.82 ALOX5 (0.36) ALOX5PTGS1PTGS2SLC6A4EGFR
Hydrochloric Acid SCHEMBL7659300 0.81 ALOX5 (0.36) ALOX5PTGS1PTGS2SLC6A4EGFR
SCHEMBL8756918 0.79 ALOX5 (0.54) ALOX5PTGS1PTGS2SLC6A4BCHE
SCHEMBL8757766 0.75 ALOX5 (0.50) ALOX5PTGS1PTGS2SLC6A4CNR1
SCHEMBL8756914 0.75 ALOX5 (0.50) ALOX5PTGS1PTGS2SLC6A4CNR1
Hydrochloric Acid SCHEMBL8758460 0.74 ALOX5 (0.49) ALOX5PTGS1PTGS2SLC6A4CNR1
SCHEMBL4895512 0.73 HTR6 (0.43)
SCHEMBL4900012 0.73 HTR6 (0.43)
SCHEMBL4895508 0.72 HTR6 (0.42)

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