SCHEMBL7819153

SCHEMBL7819153

O=S1(=O)c2sccc2CCC1CCCN1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
HTR7 P34969 5/20 0.41
HTR1A P08908 7/20 0.40
DRD2 P14416 6/20 0.40
DRD3 P35462 6/20 0.40
HTR2A P28223 5/20 0.40
DRD4 P21917 4/20 0.40
TMEM97 Q5BJF2 3/20 0.40
SIGMAR1 Q99720 3/20 0.40
ADRA2A P08913 2/20 0.40
ADRA2B P18089 2/20 0.40
ADRA2C P18825 2/20 0.40
ADRA1A P35348 2/20 0.40
ADRA1B P35368 2/20 0.40
HTR2C P28335 2/20 0.40
HRH1 P35367 2/20 0.40
SLC6A4 P31645 1/20 0.40
OPRK1 P41145 1/20 0.40
HTR5A P47898 1/20 0.40

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
SCHEMBL7819195 0.90 HTR7 (0.42) HTR7HTR1ADRD2DRD3HTR2A
SCHEMBL7987538 0.82 HTR2C (0.59) HTR7HTR2AHTR2CHTR6
SCHEMBL7821213 0.81 GRIN1 (0.50) GRIN1GRIN2BHTR7HTR1ADRD2
SCHEMBL7818373 0.81 HTR7 (0.44) HTR7HTR1ADRD2DRD3HTR2A
SCHEMBL7819559 0.80 HTR7 (0.41) HTR7HTR1ADRD2DRD3HTR2A
SCHEMBL7822659 0.80 HTR7 (0.42) GRIN1GRIN2BHTR7HTR1ADRD2
SCHEMBL7819739 0.78 HTR7 (0.39) HTR7HTR1ADRD2DRD3HTR2A
SCHEMBL7819736 0.78 HTR7 (0.39) HTR7HTR1ADRD2DRD3HTR2A
SCHEMBL7808397 0.78 HTR7 (0.39) HTR7HTR1ADRD2DRD3HTR2A
SCHEMBL7820294 0.77 HTR7 (0.45) HTR7HTR1ADRD2DRD3HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0682663-B1 4-HYDROXY-BENZOPYRAN-2-ONES AND 4-HYDROXY-CYCLOALKYL B]PYRAN-2-ONES USEFUL TO TREAT RETROVIRAL INFECTIONS UPJOHN CO (US) 2001-04-18 EP claimed
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