SCHEMBL5212892

SCHEMBL5212892

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

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 5/20 0.72
MAPT P10636 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
KCNK3 O14649 2/20 0.55
KCNK9 Q9NPC2 2/20 0.55
BRAF P15056 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
LMNA P02545 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ACKR3 P25106 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
SCHEMBL5216275 0.91 HTR1F (0.79) HTR1FKCNK3ACKR3
SCHEMBL5216477 0.89 HTR1F (0.64) HTR1FMAPTNPSR1NPC1RAB9A
SCHEMBL5216542 0.88 HTR1F (0.82) HTR1FKCNK3KCNK9NPC1RAB9A
SCHEMBL5211098 0.87 HTR1F (0.61) HTR1FNPSR1NPC1RAB9ALMNA
SCHEMBL5208639 0.87 HTR1F (0.73) HTR1FKCNK3KCNK9BRAFNPC1
SCHEMBL5207850 0.87 HTR1F (0.60) HTR1FNPSR1BRAFLMNA
SCHEMBL5213663 0.86 HTR1F (0.80) HTR1FACKR3
SCHEMBL5216706 0.86 HTR1F (0.72) HTR1FMAPTNPC1RAB9A
SCHEMBL5213369 0.86 HTR1F (0.83) HTR1FKCNK3KCNK9NPC1RAB9A
Oxalic Acid SCHEMBL5208197 0.86 HTR1F (0.79) HTR1FKCNK3KCNK9NPC1RAB9A

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