SCHEMBL5213124

SCHEMBL5213124

CN1CCC(C(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 1/20 0.56
EGFR P00533 1/20 0.54
FGFR1 P11362 1/20 0.54
KDR P35968 1/20 0.54
ALDH1A1 P00352 3/20 0.52
GAA P10253 1/20 0.52
TRIM24 O15164 1/20 0.51
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
POLB P06746 2/20 0.50
TP53 P04637 1/20 0.50
PFKFB3 Q16875 1/20 0.50
ITGA1 P56199 2/20 0.49
HTR6 P50406 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NOD2 Q9HC29 1/20 0.47

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
SCHEMBL5212363 0.91 TCF4 (0.59) HTR1FALDH1A1GAAMEN1KMT2A
SCHEMBL5213119 0.90 EGFR (0.57) HTR1FEGFRFGFR1KDRALDH1A1
SCHEMBL5214543 0.90 ITGA1 (0.58) HTR1FEGFRFGFR1KDRALDH1A1
SCHEMBL5210843 0.90 ITGA1 (0.58) HTR1FEGFRFGFR1KDRALDH1A1
SCHEMBL5208596 0.90 HTR1F (0.53) HTR1FEGFRFGFR1KDRALDH1A1
SCHEMBL5212060 0.90 HTR1F (0.68) HTR1FGAAMEN1KMT2APOLB
SCHEMBL5212417 0.90 MAPT (0.54) HTR1FKDRALDH1A1MEN1KMT2A
SCHEMBL5213469 0.89 NPSR1 (0.56) HTR1FEGFRFGFR1KDRALDH1A1
SCHEMBL5208584 0.89 POLB (0.62) HTR1FALDH1A1MEN1KMT2APOLB
SCHEMBL5210387 0.89 HTR1F (0.53) HTR1FALDH1A1TRIM24POLBTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1153013-B1 5-HT1F AGONISTS LILLY CO ELI (US) 2007-10-31 EP disclosed
EP-1841427-A2 COMPOSITIONS AND THERAPEUTIC METHODS UTILIZING A COMBINATION OF A 5-HT1F INHIBITOR AND AN NSAID Pozen, Inc. (US) 2007-10-10 EP disclosed
WO-2006081127-A2 COMPOSITIONS AND THERAPEUTIC METHODS UTILIZING A COMBINATION OF A 5-HT1F INHIBITOR AND AN NSAID POZEN INC. (US) 2006-08-03 WO disclosed
US-6777428-B1 INHIBIT PEPTIDE EXTRAVASATION DUE TO STIMULATION OF THE TRIGEMINAL GANGLIA, AND ARE THEREFORE USEFUL FOR THE TREATMENT OF MIGRAINE AND ASSOCIATED DISORDERS ELI LILLY AND COMPANY 2004-08-17 US disclosed
CN-1149195-C 5-HTIF agonists 2004-05-12 CN disclosed
CN-1340045-A 5-HTIF agonists LILLY CO ELI (US) 2002-03-13 CN disclosed