SCHEMBL8413423

SCHEMBL8413423

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.43
DRD2 P14416 2/20 0.43
DRD3 P35462 2/20 0.43
HTR1A P08908 2/20 0.43
HTR2A P28223 2/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
DRD4 P21917 1/20 0.43
HTR2C P28335 1/20 0.43
SLC6A4 P31645 1/20 0.43
ADRA1A P35348 1/20 0.43
HRH1 P35367 1/20 0.43
ADRA1B P35368 1/20 0.43
OPRK1 P41145 1/20 0.43
HTR5A P47898 1/20 0.43
HTR6 P50406 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KCNH2 Q12809 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43

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 0.94 L3MBTL1 (0.41) HTR7DRD2DRD3HTR1AHTR2A
SCHEMBL8413573 0.92 L3MBTL1 (0.41) HTR7DRD2DRD3HTR1AHTR2A
SCHEMBL8412330 0.86 TYR (0.41) HTR7DRD2L3MBTL1KDM4EKMT2A
SCHEMBL8410572 0.83 KMT2A (0.42) HTR7DRD2DRD3HTR1AHTR2A
SCHEMBL8413103 0.83 L3MBTL1 (0.41) HTR7DRD2DRD3HTR1AHTR2A
SCHEMBL8411656 0.81 L3MBTL1 (0.42) HTR7DRD2DRD3HTR1AHTR2A
SCHEMBL8413134 0.80 TP53 (0.39) HTR7DRD2DRD3HTR1AHTR2A
SCHEMBL8413681 0.79 HTR7 (0.40) HTR7DRD2DRD3HTR1AHTR2A
SCHEMBL8413815 0.79 HTR7 (0.39) HTR7DRD2DRD3HTR1AHTR2A
SCHEMBL8412349 0.75 L3MBTL1 (0.42) HTR7DRD2DRD3HTR1AHTR2A

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