SCHEMBL7994758

SCHEMBL7994758

O=S1(=O)c2sccc2C(O)CC1CCCN1CCN(c2ccc(O)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.41
DRD2 P14416 2/20 0.38
DRD3 P35462 2/20 0.38
DRD4 P21917 2/20 0.38
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GFER P55789 1/20 0.36

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
SCHEMBL7819559 0.91 HTR7 (0.41) HTR7DRD2DRD3DRD4ALDH1A1
SCHEMBL7820294 0.88 HTR7 (0.45) HTR7DRD2DRD3DRD4ALDH1A1
SCHEMBL7994710 0.87 HTR7 (0.41) HTR7DRD2DRD3DRD4ALDH1A1
SCHEMBL7818350 0.86 MAPT (0.41) HTR7DRD2DRD3DRD4ALDH1A1
SCHEMBL7819620 0.83 DRD4 (0.40) HTR7DRD4
SCHEMBL7825216 0.82 HTR7 (0.42) HTR7DRD2DRD3DRD4ALDH1A1
SCHEMBL7824110 0.82 HTR1A (0.42) HTR7DRD2DRD3DRD4ALDH1A1
SCHEMBL7819195 0.81 HTR7 (0.42) HTR7DRD2DRD3DRD4ALDH1A1
SCHEMBL7821839 0.80 HTR7 (0.43) HTR7DRD2DRD3DRD4ALDH1A1
SCHEMBL7809287 0.78 HTR7 (0.39) HTR7DRD2DRD3DRD4ALDH1A1

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