SCHEMBL5212005

SCHEMBL5212005

CC(C)NC(=S)Nc1cccc(C(=O)C2CCN(C)CC2)c1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 4/20 0.61
PKM P14618 2/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ATM Q13315 1/20 0.44
CCKBR P32239 1/20 0.44
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL5211976 0.88 HTR1F (0.64) HTR1FMEN1KMT2ACCKBR
SCHEMBL5209513 0.87 HTR1F (0.65) HTR1FPKMNPC1LMNAMEN1
SCHEMBL5212259 0.87 HTR1F (0.65) HTR1FPKMNPC1LMNAMEN1
SCHEMBL5210311 0.85 HTR1F (0.62) HTR1FNPC1LMNAMEN1KMT2A
SCHEMBL5209968 0.84 HTR1F (0.71) HTR1FMEN1KMT2AALDH1A1
SCHEMBL5212319 0.84 HTR1F (0.61) HTR1FPKMNPC1LMNAMEN1
SCHEMBL5208457 0.84 HTR1F (0.61) HTR1FPKMNPC1LMNAMEN1
SCHEMBL5211098 0.84 HTR1F (0.61) HTR1FNPC1LMNAMEN1KMT2A
SCHEMBL5212263 0.83 HTR1F (0.60) HTR1FNPC1LMNAMEN1KMT2A
SCHEMBL5208065 0.83 HTR1F (0.76) HTR1FLMNAMEN1KMT2A

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
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