SCHEMBL8552238

SCHEMBL8552238

CCCCS(=O)(=O)c1ccccc1C(=O)Nc1ccc2occ(C3CCN(C(C)C)CC3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 20/20 0.40
HTR2A P28223 19/20 0.40
DRD3 P35462 19/20 0.40
SLC6A4 P31645 1/20 0.37

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
SCHEMBL8552230 0.87 DRD2 (0.41) DRD2HTR2ADRD3
SCHEMBL30909267 0.85 DRD2 (0.36) DRD2HTR2ADRD3SLC6A4
SCHEMBL8382234 0.85 DRD2 (0.36) DRD2HTR2ADRD3SLC6A4
SCHEMBL7483910 0.84 HTR1D (0.49) DRD2
SCHEMBL30909025 0.84 HTR1D (0.49) DRD2
SCHEMBL8553560 0.84 DRD2 (0.37) DRD2SLC6A4
SCHEMBL8548456 0.82 DRD2 (0.48) DRD2HTR2ADRD3SLC6A4
SCHEMBL8704542 0.77 ALDH1A1 (0.53) DRD2HTR2ADRD3SLC6A4
SCHEMBL8547861 0.76 DRD2 (0.50) DRD2HTR2ADRD3SLC6A4
SCHEMBL8546802 0.75 DRD2 (0.49) 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