SCHEMBL7808397

SCHEMBL7808397

COC1CC(CCCN2CCN(c3ccc(F)cc3)CC2)S(=O)(=O)c2sccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.39
HTR2A P28223 4/20 0.39
HTR1A P08908 3/20 0.39
HTR2C P28335 3/20 0.39
MAPT P10636 2/20 0.39
MAPK10 P53779 2/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
DRD2 P14416 3/20 0.38
DRD3 P35462 2/20 0.38
DRD1 P21728 1/20 0.38
DRD5 P21918 1/20 0.38
DRD4 P21917 2/20 0.38
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 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
SCHEMBL7816875 0.91 HTR7 (0.38) HTR7HTR2AHTR1AHTR2CMAPT
SCHEMBL7994710 0.91 HTR7 (0.41) HTR7HTR1AMAPTMEN1KMT2A
SCHEMBL7822680 0.86 ABCB1 (0.41) HTR7HTR2AHTR1AHTR2CDRD2
SCHEMBL7819559 0.86 HTR7 (0.41) HTR7HTR2AHTR1AHTR2CMAPT
SCHEMBL7823713 0.85 HTR7 (0.41) HTR7HTR2AHTR1ADRD2DRD3
SCHEMBL7822657 0.84 HTR7 (0.38) HTR7HTR2AHTR1AHTR2CMAPT
SCHEMBL7808076 0.83 HTR2C (0.47) HTR7HTR2AHTR2CHTR6
SCHEMBL7818830 0.83 HTR7 (0.46) HTR7HTR2AHTR1AHTR2CDRD2
SCHEMBL7820294 0.83 HTR7 (0.45) HTR7HTR2AHTR1AHTR2CMAPT
SCHEMBL7818350 0.81 MAPT (0.41) HTR7HTR2AHTR1AHTR2CMAPT

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