SCHEMBL7659677

SCHEMBL7659677

CN(C)[C@@H]1CCc2c([nH]c3ccc(NC(=O)OC(C)(C)C)cc23)C1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 1/20 0.57
SIRT1 Q96EB6 2/20 0.40
NR1H2 P55055 6/20 0.40
NR1H3 Q13133 6/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RORC P51449 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL7665950 1.00 HTR1F (0.57) HTR1FSIRT1NR1H2NR1H3MEN1
SCHEMBL7662072 0.92 HTR1F (0.68) HTR1FMEN1KMT2AMAPTKDM4E
SCHEMBL7666163 0.82 HTR1F (0.71) HTR1FMEN1KMT2AMAPTKDM4E
SCHEMBL7659679 0.82 RB1 (0.47) HTR1FSIRT1RORC
SCHEMBL7655540 0.80 HTR1F (0.87) HTR1FMAPT
SCHEMBL7204474 0.80 HTR1F (0.87) HTR1FMAPT
SCHEMBL7653794 0.79 HTR1F (0.67) HTR1FMEN1KMT2AMAPTKDM4E
SCHEMBL11334169 0.78 HTR1F (0.74) HTR1FMEN1KMT2AMAPTKDM4E
SCHEMBL7662499 0.77 HTR1F (0.64) HTR1FMEN1KMT2AMAPTKDM4E
SCHEMBL6960319 0.76 CA12 (0.45) HTR1FMAPTSMN1; SMN2RORCCA12

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 7 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
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