SCHEMBL8548196

SCHEMBL8548196

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

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 20/20 0.52
HTR2A P28223 19/20 0.52
DRD3 P35462 19/20 0.52
SLC6A4 P31645 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
SCHEMBL8548534 0.84 DRD2 (0.48) DRD2HTR2ADRD3
SCHEMBL8553620 0.83 DRD2 (0.46) DRD2HTR2ADRD3
SCHEMBL8708281 0.82 DRD2 (0.45) DRD2HTR2ADRD3SLC6A4
SCHEMBL8594882 0.81 DRD2 (0.45) DRD2HTR2ADRD3
SCHEMBL8551233 0.80 DRD2 (0.46) DRD2HTR2ADRD3SLC6A4
SCHEMBL7480587 0.80 HTR1D (0.66) DRD2
SCHEMBL8550557 0.80 DRD2 (0.43) DRD2SLC6A4
SCHEMBL8384436 0.78 DRD2 (0.42) DRD2HTR2ADRD3
SCHEMBL30908978 0.78 DRD2 (0.42) DRD2HTR2ADRD3
SCHEMBL8551462 0.77 DRD2 (0.53) 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