SCHEMBL7823713

SCHEMBL7823713

COC1CC(CCCN2CCN(c3ccccc3F)CC2)S(=O)(=O)c2sccc21

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.41
HTR1A P08908 5/20 0.40
DRD2 P14416 3/20 0.40
HTR2A P28223 3/20 0.40
HTR6 P50406 2/20 0.40
SIGMAR1 Q99720 2/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL7824110 0.86 HTR1A (0.42) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL7808397 0.85 HTR7 (0.39) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL7817007 0.85 HTR7 (0.47) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL7994710 0.82 HTR7 (0.41) HTR7HTR1ADRD2ALDH1A1L3MBTL1
SCHEMBL7820288 0.80 DRD2 (0.40) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL7816875 0.77 HTR7 (0.38) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL7808076 0.77 HTR2C (0.47) HTR7HTR2AHTR6
SCHEMBL7822680 0.76 ABCB1 (0.41) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL7819620 0.73 DRD4 (0.40) HTR7SIGMAR1DRD4
SCHEMBL7811282 0.72 HTR1A (0.49) HTR7HTR1ADRD2HTR2AHTR6

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