SCHEMBL8551661

SCHEMBL8551661

CCN(CC)S(=O)(=O)Nc1ccc2occ(C3CCN(CC(C)C)CC3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 20/20 0.43
HTR2A P28223 19/20 0.43
DRD3 P35462 19/20 0.43
SLC6A4 P31645 1/20 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
SCHEMBL8550474 0.81 DRD2 (0.41) DRD2HTR2ASLC6A4
SCHEMBL7481599 0.81 HTR6 (0.49) DRD2HTR2A
SCHEMBL8549361 0.80 DRD2 (0.47) DRD2HTR2ADRD3SLC6A4
SCHEMBL8387052 0.79 DRD2 (0.36) DRD2HTR2ADRD3SLC6A4
SCHEMBL30908788 0.79 DRD2 (0.36) DRD2HTR2ADRD3SLC6A4
SCHEMBL8552193 0.79 DRD2 (0.46) DRD2HTR2ADRD3SLC6A4
SCHEMBL8547695 0.78 DRD2 (0.42) DRD2HTR2ADRD3SLC6A4
SCHEMBL8549356 0.77 DRD2 (0.40) DRD2HTR2ADRD3SLC6A4
SCHEMBL8552207 0.74 DRD2 (0.41) DRD2HTR2ADRD3SLC6A4
SCHEMBL8547100 0.74 DRD2 (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 2 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
EP-0835869-A2 New serotonin 5-HT1F agonists ELI LILLY AND COMPANY (US) 1998-04-15 EP disclosed