SCHEMBL5213302

SCHEMBL5213302

CN1CCC(C(=O)c2cccc(NN)c2)CC1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 10/20 0.65
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
NPSR1 Q6W5P4 1/20 0.46
MGLL Q99685 3/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL5210617 0.87 HTR1F (0.66) HTR1FKMT2AMEN1NPSR1MGLL
SCHEMBL14394945 0.86 HTR1F (0.69) HTR1FKMT2AMEN1NPSR1
SCHEMBL5210214 0.85 HTR1F (0.63) HTR1FKMT2AMEN1NPSR1MGLL
SCHEMBL5208521 0.85 HTR1F (0.63) HTR1FKMT2AMEN1NPSR1MGLL
SCHEMBL14395081 0.85 HTR1F (0.70) HTR1FKMT2AMEN1
SCHEMBL4223030 0.84 MGLL (0.59) HTR1FKMT2AMEN1NPSR1MGLL
Oxalic Acid SCHEMBL5210431 0.84 HTR1F (0.62) HTR1FKMT2AMEN1NPSR1MGLL
Hydrochloric Acid SCHEMBL5212124 0.83 MGLL (0.57) HTR1FKMT2AMEN1NPSR1MGLL
SCHEMBL5214917 0.83 HTR1F (0.67) HTR1FKMT2AMEN1
SCHEMBL5215939 0.83 HTR1F (0.67) HTR1FKMT2AMEN1

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