SCHEMBL5214917

SCHEMBL5214917

CNC(=O)Nc1cccc(C(=O)C2CCN(C)CC2)c1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 6/20 0.67
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.51
EPHX2 P34913 2/20 0.47
CCKBR P32239 2/20 0.45
PKM P14618 1/20 0.45
ALOX15 P16050 1/20 0.45
PIP5K1C O60331 1/20 0.44
PIK3CA P42336 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
SCHEMBL5215939 0.90 HTR1F (0.67) HTR1FKMT2AMEN1EPHX2CCKBR
SCHEMBL5212259 0.88 HTR1F (0.65) HTR1FKMT2AMEN1PKM
SCHEMBL5210817 0.88 HTR1F (0.65) HTR1FKMT2ACCKBR
SCHEMBL14395081 0.87 HTR1F (0.70) HTR1FKMT2AMEN1
SCHEMBL5210617 0.87 HTR1F (0.66) HTR1FKMT2AMEN1
SCHEMBL5214297 0.86 HTR1F (0.64) HTR1FKMT2AMEN1EPHX2CCKBR
SCHEMBL5211976 0.86 HTR1F (0.64) HTR1FKMT2AMEN1CCKBR
SCHEMBL5216477 0.86 HTR1F (0.64) HTR1FKMT2AMEN1EPHX2
SCHEMBL5211786 0.86 HTR1F (0.73) HTR1FKMT2AMEN1EPHX2
SCHEMBL14394945 0.86 HTR1F (0.69) 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 5 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-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