SCHEMBL8552149

SCHEMBL8552149

CCCCCN1CCC(c2csc3ccc(NS(=O)(=O)N(C(C)C)C(C)C)cc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.47
SLC6A4 P31645 1/20 0.47
CCR2 P41597 1/20 0.35
HTR2A P28223 2/20 0.34
HTR7 P34969 1/20 0.34
HTR6 P50406 1/20 0.34
HTR1A P08908 7/20 0.33
HTR1D P28221 6/20 0.33
DRD1 P21728 6/20 0.33
DRD4 P21917 6/20 0.33
DRD5 P21918 6/20 0.33
DRD3 P35462 6/20 0.33
HTR1B P28222 5/20 0.33
CHRM2 P08172 1/20 0.33
HRH1 P35367 1/20 0.33
KCNH2 Q12809 1/20 0.33
STS P08842 3/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33

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
SCHEMBL8549739 0.88 DRD2 (0.46) DRD2SLC6A4CCR2HTR1AHTR1D
SCHEMBL8552146 0.84 DRD2 (0.39) DRD2SLC6A4
SCHEMBL8547937 0.82 DRD2 (0.49) DRD2SLC6A4CCR2HTR2AHTR7
SCHEMBL8549361 0.82 DRD2 (0.47) DRD2SLC6A4HTR2ADRD3
SCHEMBL7484011 0.82 HTR1D (0.52) DRD2CCR2HTR6HTR1DHTR1B
SCHEMBL8552297 0.81 DRD2 (0.48) DRD2SLC6A4
SCHEMBL8550182 0.81 DRD2 (0.47) DRD2SLC6A4HTR1DHTR1BCHRM2
SCHEMBL8550474 0.80 DRD2 (0.41) DRD2SLC6A4HTR2AHTR7HTR6
SCHEMBL8702974 0.77 DRD2 (0.53) DRD2SLC6A4CCR2HTR1DHTR1B
SCHEMBL8546639 0.76 SMN1; SMN2 (0.48) DRD2SLC6A4CCR2HTR2AHTR1D

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