SCHEMBL7820294

SCHEMBL7820294

O=S1(=O)c2sccc2C(O)CC1CCCCN1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 6/20 0.45
DRD2 P14416 5/20 0.41
DRD4 P21917 3/20 0.41
HTR1A P08908 4/20 0.40
HTR2A P28223 3/20 0.40
DRD1 P21728 2/20 0.40
DRD3 P35462 2/20 0.40
DRD5 P21918 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
HTR2C P28335 2/20 0.39
ADRA1A P35348 1/20 0.39
HTR6 P50406 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HRH1 P35367 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 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
SCHEMBL7819559 0.97 HTR7 (0.41) HTR7DRD2DRD4HTR1AHTR2A
SCHEMBL7818350 0.94 MAPT (0.41) HTR7DRD2DRD4HTR1AHTR2A
SCHEMBL7994758 0.88 HTR7 (0.41) HTR7DRD2DRD4DRD3MEN1
SCHEMBL7808397 0.83 HTR7 (0.39) HTR7DRD2DRD4HTR1AHTR2A
SCHEMBL7824391 0.82 HTR7 (0.52) HTR7DRD2DRD4HTR1AHTR2A
SCHEMBL7824110 0.82 HTR1A (0.42) HTR7DRD2DRD4HTR1AHTR2A
SCHEMBL7822657 0.81 HTR7 (0.38) HTR7DRD2DRD4HTR1AHTR2A
SCHEMBL7816875 0.81 HTR7 (0.38) HTR7DRD2DRD4HTR1AHTR2A
SCHEMBL7818170 0.80 HTR2C (0.49) HTR7HTR2AHTR2CHTR6
SCHEMBL7816733 0.79 HTR7 (0.48) HTR7DRD2DRD4HTR1AHTR2A

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