SCHEMBL7819285

SCHEMBL7819285

COC1(OC)CC(CCCN2CCN(c3ccccn3)CC2)S(=O)(=O)c2sccc21

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.47
SIGMAR1 Q99720 2/20 0.44
HTR2C P28335 1/20 0.43
HTR1A P08908 2/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
POLB P06746 1/20 0.41
KCNH2 Q12809 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL7823411 0.86 HTR7 (0.49) HTR7SIGMAR1HTR1AADRA1DADRA1A
SCHEMBL7817762 0.81 HTR7 (0.39) HTR7SIGMAR1HTR2CHTR1ADRD4
SCHEMBL7818822 0.79 HTR7 (0.42) HTR7HTR2CHTR1ADRD4ADRA1A
SCHEMBL7809270 0.77 HTR2C (0.46) HTR7SIGMAR1HTR2CHTR1ADRD4
SCHEMBL7817706 0.77 MAPT (0.40) HTR7HTR2CHTR1ADRD4DRD3
SCHEMBL18301485 0.70 KCNH2 (0.69) HTR7HTR1ADRD4DRD3HRH3
SCHEMBL7823895 0.69 HTR7 (0.46) HTR7SIGMAR1HTR2CHTR1ADRD4
SCHEMBL7819553 0.69 HTR7 (0.46) HTR7SIGMAR1HTR1AALDH1A1
SCHEMBL18301489 0.67 KCNH2 (0.64) HTR7HTR1ADRD4DRD3POLB
SCHEMBL7827647 0.67 HTR1A (0.51) HTR7SIGMAR1HTR2CHTR1ADRD4

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