SCHEMBL5216706

SCHEMBL5216706

CN1CCC(C(=O)c2cccc(NC(=O)c3cccc(Br)c3)c2)CC1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 6/20 0.72
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
L3MBTL3 Q96JM7 1/20 0.53
MAPT P10636 1/20 0.51
SIRT2 Q8IXJ6 1/20 0.48
HSD11B1 P28845 1/20 0.48
MGLL Q99685 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48

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
SCHEMBL5213270 0.91 HTR1F (0.79) HTR1FSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL5216542 0.88 HTR1F (0.82) HTR1FHSD11B1NPC1RAB9AMEN1
SCHEMBL5212319 0.87 HTR1F (0.61) HTR1FSMN1; SMN2ALDH1A1HSD11B1MGLL
SCHEMBL5208639 0.87 HTR1F (0.73) HTR1FNPC1RAB9AMEN1KMT2A
SCHEMBL5217058 0.87 HTR1F (0.60) HTR1FL3MBTL3HSD11B1MGLLMEN1
SCHEMBL5212892 0.86 HTR1F (0.72) HTR1FMAPTNPC1RAB9A
SCHEMBL5213369 0.86 HTR1F (0.83) HTR1FSMN1; SMN2NPC1RAB9AMEN1
Oxalic Acid SCHEMBL5208197 0.86 HTR1F (0.79) HTR1FHSD11B1NPC1RAB9AMEN1
SCHEMBL5216264 0.85 HTR1F (0.71) HTR1FSMN1; SMN2ALDH1A1L3MBTL1MAPT
SCHEMBL14395095 0.85 HTR1F (0.81) HTR1FMGLLMEN1KMT2A

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-1153013-B1 5-HT1F AGONISTS LILLY CO ELI (US) 2007-10-31 EP 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
EP-1153013-A2 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 2001-11-14 EP disclosed
WO-2000047559-A2 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 2000-08-17 WO disclosed