SCHEMBL7656378

SCHEMBL7656378

CCC(CC)n1c2c(c3cc(O)ccc31)CC(CN)CC2

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
EGFR P00533 4/20 0.32
IGF1R P08069 4/20 0.32
FLT4 P35916 4/20 0.32
KDR P35968 4/20 0.32
GAA P10253 2/20 0.32
MAPK1 P28482 1/20 0.31
SLC6A4 P31645 2/20 0.31
BACE1 P56817 1/20 0.30

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 SCHEMBL7659300 0.99 ALOX5 (0.36) ALOX5PTGS1PTGS2EGFRIGF1R
SCHEMBL7657617 0.82 ALOX5 (0.56) ALOX5PTGS1PTGS2EGFRIGF1R
Hydrochloric Acid SCHEMBL7662234 0.81 ALOX5 (0.54) ALOX5PTGS1PTGS2EGFRIGF1R
SCHEMBL8117019 0.69 HTR1F (0.45)
SCHEMBL8756918 0.64 ALOX5 (0.54) ALOX5PTGS1PTGS2GAASLC6A4
SCHEMBL8602389 0.63 ALOX5 (0.34) ALOX5PTGS1PTGS2EGFRIGF1R
SCHEMBL9366144 0.62 OPRK1 (0.62)
SCHEMBL3144639 0.62 DRD3 (0.62)
SCHEMBL9362347 0.62 DRD3 (0.62)
SCHEMBL9366139 0.62 OPRK1 (0.62)

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