SCHEMBL8550474

SCHEMBL8550474

CCN(CC)S(=O)(=O)Nc1ccc2scc(C3CCN(CC(C)C)CC3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.41
SLC6A4 P31645 1/20 0.41
MET P08581 1/20 0.34
JAK1 P23458 1/20 0.34
RORC P51449 5/20 0.33
HTR1A P08908 1/20 0.33
NAMPT P43490 2/20 0.32
CHRM4 P08173 1/20 0.32
HTR6 P50406 2/20 0.32
RIOK3 O14730 1/20 0.32
GAK O14976 1/20 0.32
PIP5K1C O60331 1/20 0.32
STK16 O75716 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
CDKL2 Q92772 1/20 0.32
RIOK1 Q9BRS2 1/20 0.32
MYLK2 Q9H1R3 1/20 0.32
BMP2K Q9NSY1 1/20 0.32
CTSS P25774 1/20 0.32
HTR2A P28223 2/20 0.31

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
SCHEMBL8551661 0.81 DRD2 (0.43) DRD2SLC6A4HTR2A
SCHEMBL7481599 0.81 HTR6 (0.49) DRD2HTR1AHTR6HTR2AHTR7
SCHEMBL8552149 0.80 DRD2 (0.47) DRD2SLC6A4HTR1AHTR6HTR2A
SCHEMBL8549739 0.79 DRD2 (0.46) DRD2SLC6A4HTR1AKCNH2
SCHEMBL8550058 0.78 DRD2 (0.41) DRD2SLC6A4HTR1ANAMPTCHRM4
SCHEMBL8552146 0.77 DRD2 (0.39) DRD2SLC6A4
SCHEMBL8547871 0.75 HTR1D (0.43) DRD2HTR1A
SCHEMBL8552124 0.75 DRD2 (0.43) DRD2SLC6A4HTR1ANAMPTCHRM4
SCHEMBL8552460 0.74 DRD2 (0.38) DRD2SLC6A4RORCHTR6GAK
SCHEMBL8704937 0.74 DRD2 (0.44) DRD2SLC6A4HTR1ANAMPTCHRM4

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