SCHEMBL7615010

SCHEMBL7615010

CCCN(C1CCCCC1)C1COc2c(F)ccc(OS(=O)(=O)C(F)(F)F)c2C1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.47
DRD3 P35462 2/20 0.47
HTR1D P28221 1/20 0.47
DRD4 P21917 1/20 0.40
HTR1A P08908 3/20 0.40
SLC6A4 P31645 3/20 0.39

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
SCHEMBL7614997 1.00 DRD2 (0.47) DRD2DRD3HTR1DDRD4HTR1A
SCHEMBL7614366 0.99 DRD2 (0.48) DRD2DRD3HTR1DDRD4HTR1A
SCHEMBL7614362 0.99 DRD2 (0.48) DRD2DRD3HTR1DDRD4HTR1A
SCHEMBL7619434 0.98 DRD2 (0.48) DRD2DRD3HTR1DDRD4HTR1A
SCHEMBL7619425 0.98 DRD2 (0.48) DRD2DRD3HTR1DDRD4HTR1A
SCHEMBL7857811 0.95 DRD2 (0.43) DRD2DRD3HTR1DHTR1ASLC6A4
SCHEMBL7857726 0.94 DRD2 (0.44) DRD2DRD3HTR1DHTR1ASLC6A4
SCHEMBL7859099 0.93 SLC6A4 (0.49) DRD2DRD3HTR1DHTR1ASLC6A4
SCHEMBL7859104 0.93 DRD2 (0.44) DRD2DRD3HTR1DHTR1ASLC6A4
SCHEMBL7859108 0.92 SLC6A4 (0.49) DRD2DRD3HTR1DHTR1ASLC6A4

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
EP-0822813-B1 A COMBINATION OF A 5-HT UPTAKE INHIBITOR WITH A SELECTIVE 5-HT 1A ANTAGONIST ASTRAZENECA AB (SE) 2002-04-24 EP disclosed
US-5962514-A Combination of 5-HT uptake inhibitor with a selective 5-HT1A antagonist ASTRA AKTIEBOLAG (SE) 1999-10-05 US disclosed
US-5616610-A CENTRAL NERVOUS SYSTEM DISORDERS ASTRA AKTIEBOLAG (SE) 1997-04-01 US disclosed