SCHEMBL7817706

SCHEMBL7817706

COC1(OC)CC(CCN2CCN(c3ccc(F)cc3)CC2)S(=O)(=O)c2sccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
MAPK10 P53779 2/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 2/20 0.39
MAPK1 P28482 2/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTR7 P34969 7/20 0.37
DRD4 P21917 1/20 0.37
DRD5 P21918 1/20 0.37
DRD2 P14416 2/20 0.37
DRD1 P21728 1/20 0.37
DRD3 P35462 1/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 2/20 0.36

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
SCHEMBL7817762 0.95 HTR7 (0.39) MAPTMAPK10MEN1HTTKMT2A
SCHEMBL7818822 0.94 HTR7 (0.42) MAPTMAPK10MEN1HTTKMT2A
SCHEMBL7817592 0.82 HTR7 (0.43) HTR7DRD4DRD2DRD1DRD3
SCHEMBL7820288 0.81 DRD2 (0.40) HTR7DRD4DRD2DRD3ALDH1A1
SCHEMBL7977455 0.79 HTR7 (0.40) MEN1KMT2AHTR7DRD4DRD5
SCHEMBL7823895 0.78 HTR7 (0.46) HTR7DRD4DRD2DRD3HTR1A
SCHEMBL7816902 0.77 HTR7 (0.47) HTR7DRD4DRD2DRD1DRD3
SCHEMBL7819285 0.77 HTR7 (0.47) HTR7DRD4DRD3ALDH1A1HTR1A
SCHEMBL7818350 0.74 MAPT (0.41) MAPTMAPK10MEN1HTTKMT2A
SCHEMBL7808397 0.74 HTR7 (0.39) MAPTMAPK10MEN1HTTKMT2A

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