SCHEMBL5215545

SCHEMBL5215545

CN1CCC(C(=O)c2cccc(NC(=O)c3c(F)ccc(F)c3F)c2)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 13/20 0.71
CHRM5 P08912 1/20 0.51
DRD5 P21918 1/20 0.51
HTR1D P28221 1/20 0.51
HTR1E P28566 1/20 0.51
HTR7 P34969 1/20 0.51
OPRK1 P41145 1/20 0.51
TMEM97 Q5BJF2 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
ALDH1A1 P00352 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
CCNA2 P20248 1/20 0.42

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
SCHEMBL5212590 0.92 HTR1F (0.76) HTR1FCHRM5DRD5HTR1DHTR1E
SCHEMBL5212444 0.90 HTR1F (0.76) HTR1FCHRM5DRD5HTR1DHTR1E
SCHEMBL5215502 0.88 HTR1F (0.70) HTR1FCHRM5DRD5HTR1DHTR1E
SCHEMBL5211907 0.88 HTR1F (0.76) HTR1FCHRM5DRD5HTR1DHTR1E
SCHEMBL5212700 0.87 HTR1F (0.71) HTR1FCHRM5DRD5HTR1DHTR1E
SCHEMBL5215346 0.87 HTR1F (0.78) HTR1FCHRM5DRD5HTR1DHTR1E
SCHEMBL5213663 0.86 HTR1F (0.80) HTR1FKMT2AMEN1CCNA2CDK2
SCHEMBL5213369 0.85 HTR1F (0.83) HTR1FKMT2AMEN1SMN1; SMN2CYP2C9
SCHEMBL5209973 0.85 HTR1F (0.83) HTR1FCHRM5DRD5HTR1DHTR1E
SCHEMBL5213316 0.84 HTR1F (0.77) HTR1FCHRM5DRD5HTR1DHTR1E

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 2 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