SCHEMBL7816902

SCHEMBL7816902

COC1(OC)CC(CCCCN2CCN(c3ccc(F)cc3)CC2)S(=O)(=O)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.47
DRD2 P14416 4/20 0.43
HTR2A P28223 4/20 0.43
HTR1A P08908 3/20 0.43
HTR2C P28335 2/20 0.43
ADRA1A P35348 2/20 0.43
HTR6 P50406 2/20 0.43
SLC6A4 P31645 2/20 0.43
HRH1 P35367 2/20 0.43
DRD3 P35462 2/20 0.43
TMEM97 Q5BJF2 2/20 0.43
SIGMAR1 Q99720 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
ADRA1B P35368 1/20 0.43
OPRK1 P41145 1/20 0.43
HTR5A P47898 1/20 0.43
SLC6A3 Q01959 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
SCHEMBL7823895 0.97 HTR7 (0.46) HTR7DRD2HTR2AHTR1AHTR2C
SCHEMBL7817592 0.94 HTR7 (0.43) HTR7DRD2HTR2AHTR1AHTR2C
SCHEMBL7819553 0.84 HTR7 (0.46) HTR7DRD2HTR2AHTR1AHTR6
SCHEMBL7818822 0.84 HTR7 (0.42) HTR7DRD2HTR2AHTR1AHTR2C
SCHEMBL7817762 0.81 HTR7 (0.39) HTR7DRD2HTR2AHTR1AHTR2C
SCHEMBL7994897 0.81 HTR7 (0.47) HTR7DRD2HTR2AHTR1AHTR2C
SCHEMBL7817545 0.80 CYP2D6 (0.50) HTR7HTR2AHTR2CHTR6
SCHEMBL7823411 0.80 HTR7 (0.49) HTR7DRD2HTR2AHTR1AADRA1A
SCHEMBL6994792 0.78 HTR1A (0.49) HTR7DRD2HTR2AHTR1AHTR2C
SCHEMBL7817706 0.77 MAPT (0.40) HTR7DRD2HTR2AHTR1AHTR2C

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