SCHEMBL7824110

SCHEMBL7824110

O=S1(=O)c2sccc2C(O)CC1CCCN1CCN(c2ccccc2F)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.42
DRD2 P14416 3/20 0.42
HTR7 P34969 3/20 0.42
HTR2A P28223 2/20 0.42
HTR6 P50406 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
CACNA1G O43497 1/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL7823713 0.86 HTR7 (0.41) HTR1ADRD2HTR7HTR2AHTR6
SCHEMBL7819559 0.85 HTR7 (0.41) HTR1ADRD2HTR7HTR2AHTR6
SCHEMBL7811282 0.84 HTR1A (0.49) HTR1ADRD2HTR7HTR2AHTR6
SCHEMBL7809270 0.82 HTR2C (0.46) HTR1ADRD2HTR7HTR2AHTR6
SCHEMBL7820294 0.82 HTR7 (0.45) HTR1ADRD2HTR7HTR2AHTR6
SCHEMBL7994758 0.82 HTR7 (0.41) DRD2HTR7SMN1; SMN2DRD4DRD3
SCHEMBL7818350 0.79 MAPT (0.41) HTR1ADRD2HTR7HTR2ASMN1; SMN2
SCHEMBL7820288 0.76 DRD2 (0.40) HTR1ADRD2HTR7HTR2AHTR6
SCHEMBL7818170 0.76 HTR2C (0.49) HTR7HTR2AHTR6CYP2D6
SCHEMBL7817007 0.72 HTR7 (0.47) HTR1ADRD2HTR7HTR2AHTR6

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