SCHEMBL8546540

SCHEMBL8546540

CCCCN1CCC(c2coc3ccc(NC(=O)C4CCCCCC4)cc23)CC1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 13/20 0.51
HTR2A P28223 13/20 0.51
DRD3 P35462 13/20 0.51
SLC6A4 P31645 1/20 0.47
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
EPHX2 P34913 1/20 0.45
KDM4E B2RXH2 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
SCHEMBL8707882 0.84 DRD2 (0.54) DRD2HTR2ADRD3SLC6A4
SCHEMBL8551373 0.83 DRD2 (0.49) DRD2HTR2ADRD3SLC6A4
SCHEMBL8549544 0.83 DRD2 (0.49) DRD2HTR2ADRD3SLC6A4
SCHEMBL8548439 0.83 DRD2 (0.48) DRD2HTR2ADRD3SLC6A4EPHX2
SCHEMBL8552345 0.82 DRD2 (0.54) DRD2HTR2ADRD3SLC6A4
SCHEMBL8703719 0.81 DRD2 (0.53) DRD2HTR2ADRD3SLC6A4
SCHEMBL7480397 0.81 HTR1D (0.61) DRD2
SCHEMBL8553349 0.81 DRD2 (0.47) DRD2SLC6A4EPHX2KDM4E
SCHEMBL8550671 0.81 DRD2 (0.56) DRD2HTR2ADRD3
SCHEMBL8551095 0.80 DRD2 (0.48) 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