SCHEMBL5208002

SCHEMBL5208002

CN1CCC(C(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)CC1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 4/20 0.67
KCNK3 O14649 2/20 0.58
KCNK9 Q9NPC2 2/20 0.58
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
MAPT P10636 2/20 0.53
PTGES O14684 1/20 0.52
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
F2R P25116 1/20 0.50
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50
PKM P14618 1/20 0.50
RAB9A P51151 1/20 0.50
ACKR3 P25106 1/20 0.49
SMO Q99835 1/20 0.49

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
SCHEMBL5210945 0.89 HTR1F (0.67) HTR1FKCNK3KCNK9KMT2AMEN1
SCHEMBL5211165 0.88 HTR1F (0.74) HTR1FKMT2AMEN1ACKR3
SCHEMBL5212569 0.88 HTR1F (0.66) HTR1FKMT2AMEN1ALDH1A1
SCHEMBL5208984 0.88 HTR1F (0.66) HTR1FKMT2AMEN1ALDH1A1F2R
SCHEMBL5212584 0.88 HTR1F (0.72) HTR1FKMT2AMEN1ALDH1A1F2R
SCHEMBL5216542 0.87 HTR1F (0.82) HTR1FKCNK3KCNK9KMT2AMEN1
SCHEMBL5207832 0.86 HTR1F (0.67) HTR1FKCNK3KCNK9KMT2AMAPT
SCHEMBL5216275 0.85 HTR1F (0.79) HTR1FKCNK3ACKR3
SCHEMBL5212892 0.85 HTR1F (0.72) HTR1FKCNK3KCNK9MAPTNPC1
SCHEMBL5209608 0.85 HTR1F (0.66) HTR1FKCNK3KCNK9PTGESF2R

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