SCHEMBL7823988

SCHEMBL7823988

O=C1CC(CCCN2CCN(c3ccc(O)cc3)CC2)S(=O)(=O)c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.47
DRD4 P21917 2/20 0.47
DRD5 P21918 2/20 0.47
DRD3 P35462 2/20 0.47
HTR1A P08908 7/20 0.46
HTR7 P34969 5/20 0.46
HTR2A P28223 4/20 0.46
HTR6 P50406 4/20 0.46

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
SCHEMBL7823496 0.90 HTR7 (0.49) DRD2DRD4DRD5DRD3HTR1A
SCHEMBL7809588 0.87 DRD2 (0.42) DRD2DRD4DRD5DRD3HTR1A
SCHEMBL7809591 0.87 DRD2 (0.42) DRD2DRD4DRD5DRD3HTR1A
SCHEMBL7825216 0.79 HTR7 (0.42) DRD2DRD4DRD5DRD3HTR1A
SCHEMBL7819654 0.78 HTR7 (0.46) DRD2DRD4DRD5DRD3HTR1A
SCHEMBL7819652 0.78 HTR7 (0.46) DRD2DRD4DRD5DRD3HTR1A
SCHEMBL7819444 0.76 HTR7 (0.42) DRD2DRD4HTR1AHTR7
SCHEMBL7809525 0.74 DRD4 (0.42) DRD4HTR7
SCHEMBL7820348 0.74 HTR7 (0.43) DRD2DRD4DRD5DRD3HTR1A
SCHEMBL7816022 0.73 HTR2C (0.56) DRD2HTR7HTR2A

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