SCHEMBL7658760

SCHEMBL7658760

CN(C)C1CCc2[nH]c3ccc(NC(=O)c4ccc(Cl)cc4Cl)cc3c2C1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 1/20 0.66
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
MEN1 O00255 2/20 0.43
GAA P10253 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
GPR27 Q9NS67 2/20 0.42
AVPR2 P30518 1/20 0.42
SIRT1 Q96EB6 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD11B1 P28845 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL7666026 0.91 HTR1F (0.75) HTR1FMEN1KMT2AKDM4EMAPT
SCHEMBL7663021 0.90 HTR1F (0.67) HTR1FRAB9ANPC1MEN1KMT2A
SCHEMBL7655276 0.87 HTR1F (0.82) HTR1FRAB9AMEN1KMT2AKDM4E
SCHEMBL7655584 0.86 HTR1F (0.65) HTR1FRAB9ANPC1MEN1KMT2A
SCHEMBL7664599 0.85 HTR1F (0.72) HTR1FMAPTJAK2JAK1
SCHEMBL7658143 0.85 HTR1F (0.68) HTR1FMEN1KMT2AKDM4EMAPT
SCHEMBL7658766 0.83 HTR1F (0.46) HTR1FRAB9ANPC1SIRT1HSD11B1
SCHEMBL7659577 0.83 HTR1F (0.78) HTR1FRAB9ANPC1MEN1KMT2A
SCHEMBL7656955 0.83 HTR1F (0.78) HTR1FRAB9ANPC1MEN1KMT2A
SCHEMBL11334169 0.83 HTR1F (0.74) HTR1FMEN1KMT2AKDM4EMAPT

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