SCHEMBL7994710

SCHEMBL7994710

COC1CC(CCCN2CCN(c3ccc(O)cc3)CC2)S(=O)(=O)c2sccc21

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.41
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
DRD4 P21917 1/20 0.36
MAPT P10636 4/20 0.35
GAA P10253 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HTR1A P08908 1/20 0.35
LMNA P02545 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GFER P55789 1/20 0.34

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
SCHEMBL7808397 0.91 HTR7 (0.39) HTR7DRD2DRD3DRD4MAPT
SCHEMBL7819620 0.87 DRD4 (0.40) HTR7DRD4
SCHEMBL7994758 0.87 HTR7 (0.41) HTR7DRD2DRD3DRD4MAPT
SCHEMBL7819444 0.83 HTR7 (0.42) HTR7DRD2DRD4HTR1A
SCHEMBL7823713 0.82 HTR7 (0.41) HTR7DRD2DRD3DRD4ALDH1A1
SCHEMBL7816875 0.82 HTR7 (0.38) HTR7DRD2DRD3DRD4MAPT
SCHEMBL7822680 0.79 ABCB1 (0.41) HTR7DRD2DRD3HTR1A
SCHEMBL7819559 0.78 HTR7 (0.41) HTR7DRD2DRD3DRD4MAPT
SCHEMBL7819195 0.78 HTR7 (0.42) HTR7DRD2DRD3DRD4MAPT
SCHEMBL7821839 0.77 HTR7 (0.43) HTR7DRD2DRD3DRD4MAPT

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 4 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
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