SCHEMBL8413573

SCHEMBL8413573

CCN1C(N2CCN(c3ccc(F)cc3)CC2)C(OC)c2c(OC)cccc2S1(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
DRD2 P14416 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
HTR7 P34969 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
ADRA1B P35368 1/20 0.39
DRD3 P35462 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

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
SCHEMBL8413001 0.93 L3MBTL1 (0.41) L3MBTL1HTR1AADRA2ADRD2ADRA2B
SCHEMBL8413423 0.92 HTR7 (0.43) L3MBTL1HTR1AADRA2ADRD2ADRA2B
SCHEMBL8411656 0.89 L3MBTL1 (0.42) L3MBTL1HTR1AADRA2ADRD2ADRA2B
SCHEMBL8412330 0.85 TYR (0.41) L3MBTL1DRD2HTR7KDM4EKMT2A
SCHEMBL8413103 0.83 L3MBTL1 (0.41) L3MBTL1HTR1AADRA2ADRD2ADRA2B
SCHEMBL8410572 0.82 KMT2A (0.42) HTR1ADRD2DRD4HTR2AHTR7
SCHEMBL8413134 0.78 TP53 (0.39) L3MBTL1HTR1AADRA2ADRD2ADRA2B
SCHEMBL8410173 0.77 L3MBTL1 (0.39) L3MBTL1HTR1AADRA2ADRD2ADRA2B
SCHEMBL8413130 0.76 L3MBTL1 (0.38) L3MBTL1HTR1AADRA2ADRD2ADRA2B
SCHEMBL8413640 0.74 MEN1 (0.43) HTR1ADRD2HTR2CHTR7HTR6

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