SCHEMBL8413815

SCHEMBL8413815

CCCCN1C(N2CCN(c3ccc(F)cc3)CC2)C2(OCCO2)c2c(OC)cccc2S1(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.39
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
DRD4 P21917 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
ADRA1B P35368 1/20 0.39
OPRK1 P41145 1/20 0.39
HTR5A P47898 1/20 0.39
HTR6 P50406 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KCNH2 Q12809 1/20 0.39
TMEM97 Q5BJF2 1/20 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
SCHEMBL8413531 0.95 L3MBTL1 (0.37) HTR7DRD2DRD3HTR1AADRA2A
SCHEMBL8413130 0.91 L3MBTL1 (0.38) HTR7DRD2DRD3HTR1AADRA2A
SCHEMBL8413784 0.87 TYR (0.40) HTR7DRD2KDM4EMEN1KMT2A
SCHEMBL8413681 0.87 HTR7 (0.40) HTR7DRD2DRD3HTR1AADRA2A
SCHEMBL8412315 0.86 HTR7 (0.39) HTR7DRD2DRD3HTR1AADRA2A
SCHEMBL8413732 0.84 MEN1 (0.39) HTR7DRD2DRD3HTR1ADRD4
SCHEMBL8413538 0.81 L3MBTL1 (0.38) HTR7DRD2DRD3HTR1AADRA2A
SCHEMBL8410575 0.80 HTR7 (0.38) HTR7DRD2DRD3HTR1AADRA2A
SCHEMBL8413553 0.80 HSD11B1 (0.45) MEN1KMT2AHSD17B10
SCHEMBL8413423 0.79 HTR7 (0.43) HTR7DRD2DRD3HTR1AADRA2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5874429-A ANTIISCHEMIC AGENTS; CEREBROVASCULAR DISORDERS; CIRCULATORY IDSORDERS SUNTORY LIMITED (JP) 1999-02-23 US disclosed