SCHEMBL8552207

SCHEMBL8552207

CCC(C)N1CCC(c2coc3ccc(NS(=O)(=O)CC(C)C)cc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 19/20 0.41
HTR2A P28223 18/20 0.41
DRD3 P35462 18/20 0.41
SLC6A4 P31645 1/20 0.38
RORC P51449 1/20 0.34

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
SCHEMBL8552460 0.81 DRD2 (0.38) DRD2SLC6A4RORC
SCHEMBL7488077 0.81 HTR6 (0.49)
SCHEMBL8381724 0.80 DRD2 (0.35) DRD2HTR2ADRD3SLC6A4RORC
SCHEMBL8549356 0.79 DRD2 (0.40) DRD2HTR2ADRD3SLC6A4
SCHEMBL8550072 0.75 MAPT (0.44) DRD2HTR2ADRD3
SCHEMBL8551661 0.74 DRD2 (0.43) DRD2HTR2ADRD3SLC6A4
SCHEMBL8548389 0.73 DRD2 (0.39) DRD2HTR2ADRD3
SCHEMBL8552340 0.73 DRD2 (0.47) DRD2HTR2ADRD3SLC6A4
Hydrochloric Acid SCHEMBL8550201 0.72 DRD2 (0.48) DRD2HTR2ADRD3SLC6A4
SCHEMBL8552327 0.72 MRGPRX1 (0.42) 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 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