SCHEMBL8109212

SCHEMBL8109212

CCC(C)n1c2c(c3cc(NC(=O)c4ccc(F)cc4)ccc31)CC(N)CC2

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 6/20 0.47
PTGDR2 Q9Y5Y4 3/20 0.42
HTR1A P08908 5/20 0.40
HTR1D P28221 5/20 0.40
HTR1B P28222 4/20 0.40
MCHR1 Q99705 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
ENPP2 Q13822 4/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39

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
SCHEMBL8117019 0.90 HTR1F (0.45) HTR1FPTGDR2HTR1AHTR1DHTR1B
Hydrochloric Acid SCHEMBL1904420 0.75 PTGDR2 (0.50) PTGDR2
Hydrochloric Acid SCHEMBL1898883 0.75 PTGDR2 (0.50) PTGDR2
Hydrochloric Acid SCHEMBL1898886 0.75 PTGDR2 (0.50) PTGDR2
SCHEMBL7657810 0.73 HTR1F (0.73) HTR1FHTR1AHTR1DHTR1BNPC1
Hydrochloric Acid SCHEMBL7657050 0.73 HTR1F (0.72) HTR1FHTR1AHTR1DHTR1BNPC1
Hydrochloric Acid SCHEMBL8580575 0.70 HTR1F (0.43) HTR1FPTGDR2HTR1AHTR1DHTR1B
Hydrochloric Acid SCHEMBL8700695 0.68 HASPIN (0.41) HTR1FPTGDR2HTR1DHTR1BMCHR1
Hydrochloric Acid SCHEMBL8604554 0.67 HTR1F (0.41) HTR1FHTR1AHTR1DHTR1BMCHR1
SCHEMBL7662558 0.66 HTR1F (0.67) HTR1FHTR1AHTR1DHTR1B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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