SCHEMBL8548353

SCHEMBL8548353

CCCOc1ccccc1OC(=O)Nc1ccc2occ(C3CCN(C(C)CCC)CC3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 16/20 0.40
DCUN1D1 Q96GG9 16/20 0.40
DRD2 P14416 4/20 0.38
HTR2A P28223 4/20 0.38
DRD3 P35462 4/20 0.38

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
SCHEMBL8548355 0.85 DRD2 (0.47) DRD2HTR2ADRD3
SCHEMBL7484169 0.85 HTR1D (0.49) DRD2
SCHEMBL30908856 0.85 HTR1D (0.49) DRD2
SCHEMBL8703766 0.78 UBE2M (0.44) UBE2MDCUN1D1
SCHEMBL8550256 0.77 UBE2M (0.49) UBE2MDCUN1D1DRD2HTR2ADRD3
SCHEMBL8552426 0.77 RORC (0.49) DRD2HTR2ADRD3
Phenyl Propionic Acid SCHEMBL8703758 0.77 UBE2M (0.47) UBE2MDCUN1D1
SCHEMBL8549309 0.76 UBE2M (0.39) UBE2MDCUN1D1DRD2
SCHEMBL8548767 0.75 UBE2M (0.52) UBE2MDCUN1D1
SCHEMBL7481601 0.74 HTR1D (0.48) DRD2

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