SCHEMBL7818822

SCHEMBL7818822

COC1(OC)CC(CCCCN2CCN(c3ccc(F)cc3)CC2)S(=O)(=O)c2sccc21

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 8/20 0.42
HTR2A P28223 4/20 0.40
DRD2 P14416 3/20 0.39
HTR1A P08908 2/20 0.39
DRD4 P21917 1/20 0.39
HTR2C P28335 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
MAPK10 P53779 1/20 0.38
KMT2A Q03164 1/20 0.38
DRD1 P21728 1/20 0.37
ADRA1A P35348 1/20 0.37
HTR6 P50406 1/20 0.37

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
SCHEMBL7817762 0.97 HTR7 (0.39) HTR7HTR2ADRD2HTR1ADRD4
SCHEMBL7817706 0.94 MAPT (0.40) HTR7HTR2ADRD2HTR1ADRD4
SCHEMBL7816902 0.84 HTR7 (0.47) HTR7HTR2ADRD2HTR1ADRD4
SCHEMBL7820288 0.83 DRD2 (0.40) HTR7HTR2ADRD2HTR1ADRD4
SCHEMBL7977455 0.81 HTR7 (0.40) HTR7HTR2ADRD2HTR1ADRD4
SCHEMBL7818531 0.81 HTR2C (0.46) HTR7HTR2ADRD2HTR2CHTR6
SCHEMBL7823895 0.81 HTR7 (0.46) HTR7HTR2ADRD2HTR1ADRD4
SCHEMBL7819285 0.79 HTR7 (0.47) HTR7HTR1ADRD4HTR2CADRA1A
SCHEMBL7817592 0.78 HTR7 (0.43) HTR7HTR2ADRD2HTR1ADRD4
SCHEMBL7808397 0.76 HTR7 (0.39) HTR7HTR2ADRD2HTR1ADRD4

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