SCHEMBL5216264

SCHEMBL5216264

COc1cccc(C(=O)Nc2cccc(C(=O)C3CCN(C)CC3)c2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 1/20 0.71
RAB9A P51151 9/20 0.64
NPC1 O15118 8/20 0.64
ALDH1A1 P00352 3/20 0.64
SMN1; SMN2 Q16637 6/20 0.62
TP53 P04637 4/20 0.62
RXFP1 Q9HBX9 1/20 0.61
KCNK3 O14649 2/20 0.60
KCNK9 Q9NPC2 2/20 0.60
TSHR P16473 3/20 0.59
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
HTT P42858 1/20 0.57
POLB P06746 1/20 0.57
NLRP3 Q96P20 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
QSOX1 O00391 1/20 0.56
LMNA P02545 1/20 0.56
MAPT P10636 1/20 0.56
PKM P14618 1/20 0.56

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
SCHEMBL5215772 0.92 HTR1F (0.76) HTR1FRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL30771226 0.88 MGLL (0.62) HTR1FALDH1A1MEN1KMT2APOLB
SCHEMBL5210032 0.88 MGLL (0.62) HTR1FALDH1A1MEN1KMT2APOLB
SCHEMBL5215041 0.87 HTR1F (0.69) HTR1FRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL5216542 0.87 HTR1F (0.82) HTR1FRAB9ANPC1KCNK3KCNK9
SCHEMBL5208639 0.86 HTR1F (0.73) HTR1FRAB9ANPC1RXFP1KCNK3
SCHEMBL5212330 0.85 HTR1F (0.60) HTR1FRAB9ANPC1SMN1; SMN2TP53
SCHEMBL5212892 0.85 HTR1F (0.72) HTR1FRAB9ANPC1KCNK3KCNK9
SCHEMBL5216706 0.85 HTR1F (0.72) HTR1FRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL5213369 0.85 HTR1F (0.83) HTR1FRAB9ANPC1SMN1; SMN2KCNK3

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