SCHEMBL7819620

SCHEMBL7819620

O=S1(=O)c2sccc2C(OCc2ccccc2)CC1CCCN1CCN(c2ccc(O)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.40
SIGMAR1 Q99720 11/20 0.39
TMEM97 Q5BJF2 10/20 0.39
HTR7 P34969 2/20 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
SCHEMBL7822680 0.92 ABCB1 (0.41) SIGMAR1TMEM97HTR7
SCHEMBL7994710 0.87 HTR7 (0.41) DRD4HTR7
SCHEMBL7809525 0.86 DRD4 (0.42) DRD4SIGMAR1TMEM97HTR7
SCHEMBL7994758 0.83 HTR7 (0.41) DRD4HTR7
SCHEMBL7816875 0.80 HTR7 (0.38) DRD4SIGMAR1TMEM97HTR7
SCHEMBL9033236 0.80 DRD4 (0.42) DRD4SIGMAR1TMEM97HTR7
SCHEMBL7817495 0.79 HTR2A (0.51) HTR7
SCHEMBL7817734 0.78 HTR7 (0.44) DRD4SIGMAR1TMEM97HTR7
SCHEMBL7808397 0.78 HTR7 (0.39) DRD4SIGMAR1TMEM97HTR7
SCHEMBL7819559 0.75 HTR7 (0.41) DRD4SIGMAR1TMEM97HTR7

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
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