SCHEMBL7809285

SCHEMBL7809285

O=S1(=O)c2sccc2/C(=N/O)CC1CCCN1CCN(c2ccc(O)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.39
DRD2 P14416 3/20 0.36
DRD3 P35462 2/20 0.36
DRD4 P21917 1/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GFER P55789 1/20 0.34
HTR1A P08908 1/20 0.33
HTR2A P28223 1/20 0.33

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
SCHEMBL7809287 1.00 HTR7 (0.39) HTR7DRD2DRD3DRD4ALDH1A1
SCHEMBL7819736 0.92 HTR7 (0.39) HTR7DRD2DRD3DRD4ALDH1A1
SCHEMBL7819739 0.92 HTR7 (0.39) HTR7DRD2DRD3DRD4ALDH1A1
SCHEMBL7821839 0.87 HTR7 (0.43) HTR7DRD2DRD3DRD4ALDH1A1
SCHEMBL7809591 0.83 DRD2 (0.42) HTR7DRD2DRD3DRD4HTR1A
SCHEMBL7809588 0.83 DRD2 (0.42) HTR7DRD2DRD3DRD4HTR1A
SCHEMBL7819195 0.79 HTR7 (0.42) HTR7DRD2DRD3DRD4ALDH1A1
SCHEMBL7994758 0.78 HTR7 (0.41) HTR7DRD2DRD3DRD4ALDH1A1
SCHEMBL7818373 0.78 HTR7 (0.44) HTR7DRD2DRD3HTR1AHTR2A
SCHEMBL7819478 0.76 HTR2C (0.54) HTR7HTR2A

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