SCHEMBL7657726

SCHEMBL7657726

CN(C)C1CCc2[nH]c3ccc(NC(=O)c4cccnc4)cc3c2C1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 1/20 0.70
MAPKAPK2 P49137 3/20 0.48
RAB9A P51151 8/20 0.47
SMN1; SMN2 Q16637 6/20 0.45
NPC1 O15118 7/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 5/20 0.44
TP53 P04637 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
KCNK3 O14649 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 1/20 0.43
GFER P55789 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL8109238 0.90 HTR1F (0.57) HTR1FMAPKAPK2RAB9ASMN1; SMN2NPC1
SCHEMBL7664634 0.89 HTR1F (0.79) HTR1FMAPKAPK2SMN1; SMN2ALDH1A1MEN1
SCHEMBL7656398 0.88 HTR1F (0.81) HTR1FSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL7657561 0.85 HTR1F (0.73) HTR1FMAPKAPK2RAB9ASMN1; SMN2NPC1
SCHEMBL7657208 0.84 HTR1F (0.72) HTR1FRAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL7664599 0.84 HTR1F (0.72) HTR1FMAPKAPK2TP53MAPTTDP1
SCHEMBL7662597 0.84 HTR1F (0.81) HTR1FMAPKAPK2RAB9ASMN1; SMN2NPC1
SCHEMBL7657736 0.84 HTR1F (0.49) HTR1FMAPKAPK2RAB9ASMN1; SMN2NPC1
SCHEMBL7665351 0.84 HTR1F (0.83) HTR1FRAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL7658586 0.84 HTR1F (0.83) HTR1FMAPKAPK2RAB9ASMN1; SMN2NPC1

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