SCHEMBL5214686

SCHEMBL5214686

CN1CCC(C(=O)c2cccc(NC(=O)c3ccc(C(F)(F)F)cc3)c2)CC1

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 8/20 0.80
EPHX2 P34913 1/20 0.56
PTGS1 P23219 1/20 0.56
ACKR3 P25106 3/20 0.56
MAPT P10636 3/20 0.54
LMNA P02545 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
ALDH1A1 P00352 2/20 0.52
TP53 P04637 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL5210296 0.92 HTR1F (0.71) HTR1FPTGS1ACKR3MAPTLMNA
SCHEMBL30908870 0.89 HTR1F (1.00) HTR1FMEN1KMT2A
SCHEMBL5210537 0.89 HTR1F (1.00) HTR1FMEN1KMT2A
SCHEMBL5216542 0.88 HTR1F (0.82) HTR1FMEN1KMT2ANPC1RAB9A
Hydrochloric Acid SCHEMBL5214792 0.88 HTR1F (0.98) HTR1FMEN1KMT2A
SCHEMBL5214770 0.87 HTR1F (0.81) HTR1FACKR3MAPTMEN1KMT2A
SCHEMBL14395095 0.87 HTR1F (0.81) HTR1FMEN1KMT2A
SCHEMBL5212621 0.87 HTR1F (0.74) HTR1FLMNANPC1RAB9ASMN1; SMN2
SCHEMBL14395094 0.86 HTR1F (0.76) HTR1FACKR3LMNAMEN1KMT2A
SCHEMBL5212810 0.86 HTR1F (0.79) HTR1FMEN1KMT2A

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