SCHEMBL5210296

SCHEMBL5210296

CN1CCC(C(=O)c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 2/20 0.71
ALDH1A1 P00352 2/20 0.59
TP53 P04637 1/20 0.59
PTGS1 P23219 1/20 0.59
MEN1 O00255 1/20 0.59
HTT P42858 1/20 0.59
RAB9A P51151 1/20 0.59
KMT2A Q03164 1/20 0.59
LMNA P02545 5/20 0.58
MAPT P10636 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
KCNK3 O14649 2/20 0.58
ACKR3 P25106 2/20 0.58
KCNK9 Q9NPC2 1/20 0.58
LCK P06239 1/20 0.56
MAPK14 Q16539 1/20 0.56
BRAF P15056 1/20 0.56
P2RX1 P51575 1/20 0.54
TRPV4 Q9HBA0 1/20 0.54
RXFP1 Q9HBX9 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
SCHEMBL5214686 0.92 HTR1F (0.80) HTR1FALDH1A1TP53PTGS1MEN1
SCHEMBL5210602 0.88 HTR1F (0.59) HTR1FALDH1A1TP53MEN1KMT2A
Oxalic Acid SCHEMBL5212893 0.85 HTR1F (0.58) HTR1FALDH1A1TP53MEN1HTT
SCHEMBL5213369 0.85 HTR1F (0.83) HTR1FMEN1HTTRAB9AKMT2A
SCHEMBL5215041 0.85 HTR1F (0.69) HTR1FALDH1A1TP53RAB9ASMN1; SMN2
SCHEMBL5216542 0.85 HTR1F (0.82) HTR1FMEN1RAB9AKMT2AKCNK3
SCHEMBL5208639 0.84 HTR1F (0.73) HTR1FMEN1RAB9AKMT2AKCNK3
SCHEMBL5213663 0.83 HTR1F (0.80) HTR1FMEN1KMT2AACKR3
SCHEMBL5210217 0.83 ALDH1A1 (0.57) HTR1FALDH1A1MEN1HTTKMT2A
SCHEMBL5210537 0.83 HTR1F (1.00) HTR1FMEN1KMT2AKCNK3KCNK9

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
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
CN-1149195-C 5-HTIF agonists 2004-05-12 CN 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