SCHEMBL7811282

SCHEMBL7811282

O=S1(=O)c2ccccc2C(O)CC1CCCN1CCN(c2ccccc2F)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.49
DRD2 P14416 3/20 0.49
HTR7 P34969 3/20 0.49
HTR2A P28223 2/20 0.49
HTR6 P50406 2/20 0.49
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CACNA1G O43497 2/20 0.42
LMNA P02545 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP1A2 P05177 1/20 0.41
MPI P34949 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL7816733 0.86 HTR7 (0.48) HTR1ADRD2HTR7HTR2AHTR6
SCHEMBL7817007 0.85 HTR7 (0.47) HTR1ADRD2HTR7HTR2AHTR6
SCHEMBL7824110 0.84 HTR1A (0.42) HTR1ADRD2HTR7HTR2AHTR6
SCHEMBL7824391 0.83 HTR7 (0.52) HTR1ADRD2HTR7HTR2AHTR6
SCHEMBL7825216 0.82 HTR7 (0.42) HTR1ADRD2HTR7HTR2AHTR6
SCHEMBL7827647 0.81 HTR1A (0.51) HTR1ADRD2HTR7HTR2AHTR6
SCHEMBL7817649 0.80 HTR1A (0.48) HTR1ADRD2HTR7HTR2AHTR6
SCHEMBL7821419 0.77 HTR2A (0.54) HTR7HTR2AHTR6CYP2D6KDM4E
SCHEMBL7819553 0.75 HTR7 (0.46) HTR1ADRD2HTR7HTR2AHTR6
SCHEMBL7823713 0.72 HTR7 (0.41) 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