SCHEMBL8552647

SCHEMBL8552647

CCCCCN1CCC(c2coc3ccc(NC(=O)c4ccsc4)cc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 13/20 0.46
HTR2A P28223 11/20 0.46
DRD3 P35462 11/20 0.46
HTR1D P28221 8/20 0.46
HTR1B P28222 5/20 0.46
CHRM2 P08172 1/20 0.46
SLC6A4 P31645 1/20 0.44

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
SCHEMBL8551530 0.87 DRD2 (0.54) DRD2HTR2ADRD3HTR1DHTR1B
SCHEMBL8552921 0.84 DRD2 (0.49) DRD2HTR2ADRD3HTR1DHTR1B
SCHEMBL8549540 0.84 HTR1D (0.48) DRD2HTR1DHTR1BCHRM2SLC6A4
SCHEMBL7486890 0.83 HTR1D (0.67) DRD2HTR1DHTR1BCHRM2
SCHEMBL7480337 0.82 HTR1D (0.69) DRD2HTR1DHTR1BCHRM2
SCHEMBL8552345 0.82 DRD2 (0.54) DRD2HTR2ADRD3SLC6A4
SCHEMBL8551620 0.82 DRD2 (0.48) DRD2HTR2ADRD3HTR1DHTR1B
SCHEMBL8552841 0.82 KMT2A (0.47) DRD2HTR2ADRD3SLC6A4
SCHEMBL8552432 0.82 RORC (0.51) DRD2HTR2ADRD3HTR1DHTR1B
SCHEMBL8549055 0.82 DRD2 (0.51) DRD2HTR2ADRD3SLC6A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5792763-A MIGRAINES; ANALGESICS; DISEASES LINKED TO DECREASED NEUROTRANMISSION OF SEROTONIN IN MAMMALS ELI LILLY AND COMPANY (US) 1998-08-11 US disclosed
WO-1998015545-A1 NEW SEROTONIN 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 1998-04-16 WO disclosed
EP-0835869-A2 New serotonin 5-HT1F agonists ELI LILLY AND COMPANY (US) 1998-04-15 EP disclosed