SCHEMBL8549356

SCHEMBL8549356

CCCC(C)N1CCC(c2coc3ccc(NS(=O)(=O)N(C(C)C)C(C)C)cc23)CC1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.40
HTR2A P28223 8/20 0.40
DRD3 P35462 8/20 0.40
SLC6A4 P31645 1/20 0.39
UBE2M P61081 11/20 0.36
DCUN1D1 Q96GG9 11/20 0.36

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
SCHEMBL8549361 0.84 DRD2 (0.47) DRD2HTR2ADRD3SLC6A4
SCHEMBL8552146 0.81 DRD2 (0.39) DRD2SLC6A4UBE2MDCUN1D1
SCHEMBL7484001 0.81 HTR6 (0.48)
SCHEMBL8552207 0.79 DRD2 (0.41) DRD2HTR2ADRD3SLC6A4
SCHEMBL8549309 0.77 UBE2M (0.39) DRD2SLC6A4UBE2MDCUN1D1
SCHEMBL8551661 0.77 DRD2 (0.43) DRD2HTR2ADRD3SLC6A4
SCHEMBL8550256 0.75 UBE2M (0.49) DRD2HTR2ADRD3UBE2MDCUN1D1
Phenyl Propionic Acid SCHEMBL8703758 0.75 UBE2M (0.47) UBE2MDCUN1D1
SCHEMBL8703766 0.74 UBE2M (0.44) UBE2MDCUN1D1
SCHEMBL8548767 0.74 UBE2M (0.52) UBE2MDCUN1D1

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