SCHEMBL7994897

SCHEMBL7994897

CCSC1(SCC)CC(CCCN2CCN(c3ccc(F)cc3)CC2)S(=O)(=O)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 7/20 0.47
HTR1A P08908 3/20 0.42
HTR2A P28223 3/20 0.42
DRD2 P14416 2/20 0.42
HRH1 P35367 2/20 0.42
DRD3 P35462 2/20 0.42
TMEM97 Q5BJF2 2/20 0.42
SIGMAR1 Q99720 2/20 0.42
HTR6 P50406 2/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
DRD4 P21917 1/20 0.42
HTR2C P28335 1/20 0.42
SLC6A4 P31645 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
OPRK1 P41145 1/20 0.42
HTR5A P47898 1/20 0.42
SLC6A3 Q01959 1/20 0.42

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
SCHEMBL7977455 0.84 HTR7 (0.40) HTR7HTR1AHTR2ADRD2HRH1
SCHEMBL7823895 0.83 HTR7 (0.46) HTR7HTR1AHTR2ADRD2HRH1
SCHEMBL7816902 0.81 HTR7 (0.47) HTR7HTR1AHTR2ADRD2HRH1
SCHEMBL6997255 0.80 HTR7 (0.48) HTR7HTR1AHTR2ADRD2HRH1
SCHEMBL7817592 0.78 HTR7 (0.43) HTR7HTR1AHTR2ADRD2HRH1
SCHEMBL7821213 0.75 GRIN1 (0.50) HTR7HTR1AHTR2ADRD2HRH1
SCHEMBL7823496 0.74 HTR7 (0.49) HTR7HTR1AHTR2ADRD2HRH1
SCHEMBL7818896 0.73 HTR7 (0.45) HTR7HTR1AHTR2ADRD2HRH1
SCHEMBL7816733 0.73 HTR7 (0.48) HTR7HTR1AHTR2ADRD2HRH1
SCHEMBL7818830 0.73 HTR7 (0.46) HTR7HTR1AHTR2ADRD2HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6294677-B1 HAS SEROTONIN-2-RECEPTER ANTAGONISTIC ACTION AND USEFUL AS A DRUG FOR PREVENTING OR TREATING ISCHEMIC HEART DISEASES, CEREBROVASCULAR DISTURBANCE, AND PERIPHERAL CIRCULATORY DISTURBANCE, WITH MINIMAL TOXIC OR SIDE EFFECTS SUNTORY LIMITED (JP) 2001-09-25 US disclosed
US-6100265-A BENZOTHIOPYRAN AND THIENOTHIOPYRAN DERIVATIVES; SEROTONIN-2 BLOCKING ACTION; TREATMENT OF CIRCULATORY DISEASES IN GENERAL SUCH AS HYPERTENSION, ISCHEMIC HEART DISEASE, CEREBROVASCULAR DISTURBANCE, AND PERIPHERAL CIRCULATORY DISTURBANCE SUNTORY LIMITED (JP) 2000-08-08 US disclosed
US-5977111-A Thiopyran derivatives SUNTORY LIMITED (JP) 1999-11-02 US disclosed
EP-0749971-A1 Thiopyran derivatives SUNTORY LIMITED (JP) 1996-12-27 EP disclosed