SCHEMBL7809525

SCHEMBL7809525

O=S1(=O)c2ccccc2C(OCc2ccccc2)CC1CCCN1CCN(c2ccc(O)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.42
TMEM97 Q5BJF2 9/20 0.41
SIGMAR1 Q99720 9/20 0.41
HTR7 P34969 2/20 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
SCHEMBL7817734 0.92 HTR7 (0.44) DRD4TMEM97SIGMAR1HTR7
SCHEMBL7819444 0.88 HTR7 (0.42) DRD4SIGMAR1HTR7
SCHEMBL7819620 0.86 DRD4 (0.40) DRD4TMEM97SIGMAR1HTR7
SCHEMBL7825216 0.84 HTR7 (0.42) DRD4HTR7
SCHEMBL7818896 0.81 HTR7 (0.45) DRD4TMEM97SIGMAR1HTR7
SCHEMBL7818830 0.79 HTR7 (0.46) DRD4TMEM97SIGMAR1HTR7
SCHEMBL7822680 0.78 ABCB1 (0.41) TMEM97SIGMAR1HTR7
SCHEMBL7821633 0.78 HTR2A (0.55) HTR7
SCHEMBL7816733 0.75 HTR7 (0.48) DRD4TMEM97SIGMAR1HTR7
SCHEMBL7823988 0.74 DRD2 (0.47) DRD4HTR7

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