SCHEMBL7816875

SCHEMBL7816875

CCOC1CC(CCCN2CCN(c3ccc(F)cc3)CC2)S(=O)(=O)c2sccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 6/20 0.38
MAPT P10636 2/20 0.38
DRD2 P14416 3/20 0.37
HTR1A P08908 3/20 0.37
HTR2A P28223 3/20 0.37
DRD3 P35462 2/20 0.37
DRD1 P21728 1/20 0.37
DRD5 P21918 1/20 0.37
DRD4 P21917 2/20 0.37
HTR2C P28335 2/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
ADRA1B P35368 1/20 0.36
OPRK1 P41145 1/20 0.36
HTR5A P47898 1/20 0.36
HTR6 P50406 1/20 0.36

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
SCHEMBL7808397 0.91 HTR7 (0.39) HTR7MAPTDRD2HTR1AHTR2A
SCHEMBL7822680 0.88 ABCB1 (0.41) HTR7DRD2HTR1AHTR2ADRD3
SCHEMBL7819559 0.84 HTR7 (0.41) HTR7MAPTDRD2HTR1AHTR2A
SCHEMBL7822657 0.84 HTR7 (0.38) HTR7MAPTDRD2HTR1AHTR2A
SCHEMBL7818896 0.84 HTR7 (0.45) HTR7DRD2HTR1AHTR2ADRD3
SCHEMBL7994710 0.82 HTR7 (0.41) HTR7MAPTDRD2HTR1ADRD3
SCHEMBL7820294 0.81 HTR7 (0.45) HTR7MAPTDRD2HTR1AHTR2A
SCHEMBL7819620 0.80 DRD4 (0.40) HTR7DRD4TMEM97SIGMAR1
SCHEMBL7818350 0.79 MAPT (0.41) HTR7MAPTDRD2HTR1AHTR2A
SCHEMBL7823713 0.77 HTR7 (0.41) HTR7DRD2HTR1AHTR2ADRD3

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 5 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
EP-0749971-B1 Thiopyran derivatives SUNTORY LTD (JP) 2001-03-14 EP 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