SCHEMBL5212700

SCHEMBL5212700

CN1CCC(C(=O)c2cccc(NC(=O)c3cccc(F)c3F)c2)CC1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 13/20 0.71
ACKR3 P25106 2/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.47
CHRM5 P08912 1/20 0.46
DRD5 P21918 1/20 0.46
HTR1D P28221 1/20 0.46
HTR1E P28566 1/20 0.46
HTR7 P34969 1/20 0.46
OPRK1 P41145 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
CRACR2A Q9BSW2 1/20 0.43

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
SCHEMBL5215502 0.93 HTR1F (0.70) HTR1FACKR3MEN1KMT2ACHRM5
SCHEMBL5212584 0.92 HTR1F (0.72) HTR1FACKR3MEN1KMT2ASMN1; SMN2
SCHEMBL5211588 0.88 HTR1F (0.70) HTR1FMEN1KMT2ASMN1; SMN2CHRM5
SCHEMBL5208245 0.88 HTR1F (0.72) HTR1FMEN1KMT2ACHRM5DRD5
SCHEMBL5212590 0.88 HTR1F (0.76) HTR1FACKR3MEN1KMT2ASMN1; SMN2
SCHEMBL5215545 0.87 HTR1F (0.71) HTR1FMEN1KMT2ASMN1; SMN2CHRM5
SCHEMBL5215346 0.87 HTR1F (0.78) HTR1FMEN1KMT2ASMN1; SMN2CHRM5
SCHEMBL5213316 0.86 HTR1F (0.77) HTR1FMEN1KMT2ACHRM5DRD5
SCHEMBL14395148 0.86 HTR1F (0.77) HTR1FMEN1KMT2ACHRM5DRD5
SCHEMBL5212444 0.85 HTR1F (0.76) HTR1FMEN1KMT2ASMN1; SMN2CHRM5

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