SCHEMBL7977455

SCHEMBL7977455

CCSC1(SCC)CC(CCCN2CCN(c3ccc(F)cc3)CC2)S(=O)(=O)c2sccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 7/20 0.40
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
DRD2 P14416 5/20 0.36
HTR1A P08908 4/20 0.36
DRD4 P21917 2/20 0.36
HTR2A P28223 4/20 0.36
DRD1 P21728 2/20 0.36
HTR2C P28335 2/20 0.36
ADRA1A P35348 2/20 0.36
HTR6 P50406 2/20 0.36
DRD3 P35462 2/20 0.36
DRD5 P21918 1/20 0.36
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
SLC6A4 P31645 1/20 0.35
HRH1 P35367 1/20 0.35
ADRA1B P35368 1/20 0.35
OPRK1 P41145 1/20 0.35

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 0.84 HTR7 (0.39) HTR7MEN1KMT2ADRD2HTR1A
SCHEMBL7994897 0.84 HTR7 (0.47) HTR7DRD2HTR1ADRD4HTR2A
SCHEMBL7818822 0.81 HTR7 (0.42) HTR7MEN1KMT2ADRD2HTR1A
SCHEMBL7817706 0.79 MAPT (0.40) HTR7MEN1KMT2ADRD2HTR1A
SCHEMBL7822657 0.78 HTR7 (0.38) HTR7MEN1KMT2ADRD2HTR1A
SCHEMBL7819153 0.76 GRIN1 (0.41) HTR7DRD2HTR1ADRD4HTR2A
SCHEMBL7818373 0.75 HTR7 (0.44) HTR7DRD2HTR1AHTR2ADRD1
SCHEMBL7816875 0.74 HTR7 (0.38) HTR7MEN1KMT2ADRD2HTR1A
SCHEMBL7819559 0.74 HTR7 (0.41) HTR7MEN1KMT2ADRD2HTR1A
SCHEMBL7808397 0.74 HTR7 (0.39) HTR7MEN1KMT2ADRD2HTR1A

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