SCHEMBL8552345

SCHEMBL8552345

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

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.54
HTR2A P28223 8/20 0.54
DRD3 P35462 8/20 0.54
SLC6A4 P31645 1/20 0.48

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
SCHEMBL8549544 0.86 DRD2 (0.49) DRD2HTR2ADRD3SLC6A4
SCHEMBL8703719 0.86 DRD2 (0.53) DRD2HTR2ADRD3SLC6A4
SCHEMBL8550671 0.85 DRD2 (0.56) DRD2HTR2ADRD3
SCHEMBL8551530 0.84 DRD2 (0.54) DRD2HTR2ADRD3SLC6A4
SCHEMBL8552340 0.83 DRD2 (0.47) DRD2HTR2ADRD3SLC6A4
SCHEMBL8703762 0.83 DRD2 (0.47) DRD2HTR2ADRD3SLC6A4
SCHEMBL8707882 0.83 DRD2 (0.54) DRD2HTR2ADRD3SLC6A4
SCHEMBL8551620 0.83 DRD2 (0.48) DRD2HTR2ADRD3SLC6A4
SCHEMBL8551604 0.83 UBE2M (0.49) DRD2HTR2ADRD3SLC6A4
SCHEMBL8552647 0.82 DRD2 (0.46) 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