SCHEMBL5208639

SCHEMBL5208639

Cc1cccc(C(=O)Nc2cccc(C(=O)C3CCN(C)CC3)c2)c1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 4/20 0.73
KCNK3 O14649 10/20 0.60
KCNK9 Q9NPC2 8/20 0.60
KCNH2 Q12809 1/20 0.60
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
RXFP1 Q9HBX9 1/20 0.57
POLB P06746 1/20 0.56
BRAF P15056 1/20 0.54
ACKR3 P25106 1/20 0.52
GPR17 Q13304 1/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51

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
SCHEMBL5214770 0.91 HTR1F (0.81) HTR1FMEN1KMT2APOLBACKR3
SCHEMBL5210817 0.89 HTR1F (0.65) HTR1FKMT2ANPC1RAB9A
SCHEMBL5216542 0.89 HTR1F (0.82) HTR1FKCNK3KCNK9MEN1KMT2A
SCHEMBL10965626 0.87 MGLL (0.60) HTR1FMEN1KMT2APOLB
SCHEMBL5212892 0.87 HTR1F (0.72) HTR1FKCNK3KCNK9BRAFACKR3
SCHEMBL5213369 0.87 HTR1F (0.83) HTR1FKCNK3KCNK9MEN1KMT2A
SCHEMBL5216706 0.87 HTR1F (0.72) HTR1FMEN1KMT2ANPC1RAB9A
SCHEMBL5210311 0.87 HTR1F (0.62) HTR1FMEN1KMT2ANPC1RAB9A
Oxalic Acid SCHEMBL5208197 0.87 HTR1F (0.79) HTR1FKCNK3KCNK9MEN1KMT2A
SCHEMBL5215489 0.86 HTR1F (0.61) HTR1FMEN1KMT2ABRAF

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