SCHEMBL8552230

SCHEMBL8552230

CCC(C)S(=O)(=O)c1ccccc1C(=O)Nc1ccc2occ(C3CCN(C(C)C)CC3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 20/20 0.41
HTR2A P28223 20/20 0.41
DRD3 P35462 20/20 0.41

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
SCHEMBL8552238 0.87 DRD2 (0.40) DRD2HTR2ADRD3
SCHEMBL8382232 0.86 DRD2 (0.36) DRD2HTR2ADRD3
SCHEMBL7483905 0.84 HTR1D (0.50) DRD2
SCHEMBL8553565 0.84 MAPT (0.36) DRD2
SCHEMBL8548456 0.78 DRD2 (0.48) DRD2HTR2ADRD3
SCHEMBL8704542 0.78 ALDH1A1 (0.53) DRD2HTR2ADRD3
SCHEMBL8382026 0.76 HTR6 (0.34)
SCHEMBL8548758 0.75 DRD2 (0.40) DRD2HTR2ADRD3
SCHEMBL8552340 0.74 DRD2 (0.47) DRD2HTR2ADRD3
SCHEMBL8548755 0.73 CA2 (0.43) DRD2HTR2ADRD3

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