SCHEMBL7817762

SCHEMBL7817762

COC1(OC)CC(CCCN2CCN(c3ccc(F)cc3)CC2)S(=O)(=O)c2sccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 6/20 0.39
DRD2 P14416 4/20 0.39
HTR1A P08908 3/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
MAPK10 P53779 2/20 0.38
KMT2A Q03164 2/20 0.38
HTR2A P28223 2/20 0.38
HTT P42858 1/20 0.38
HTR2C P28335 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
DRD3 P35462 2/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
DRD1 P21728 1/20 0.37
DRD5 P21918 1/20 0.37
DRD4 P21917 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
SCHEMBL7818822 0.97 HTR7 (0.42) HTR7DRD2HTR1AMEN1MAPT
SCHEMBL7817706 0.95 MAPT (0.40) HTR7DRD2HTR1AMEN1MAPT
SCHEMBL7820288 0.86 DRD2 (0.40) HTR7DRD2HTR1AHTR2ADRD3
SCHEMBL7977455 0.84 HTR7 (0.40) HTR7DRD2HTR1AMEN1KMT2A
SCHEMBL7818531 0.84 HTR2C (0.46) HTR7DRD2HTR2AHTR2C
SCHEMBL7823895 0.83 HTR7 (0.46) HTR7DRD2HTR1AHTR2AHTR2C
SCHEMBL7819285 0.81 HTR7 (0.47) HTR7HTR1AHTR2CDRD3SIGMAR1
SCHEMBL7816902 0.81 HTR7 (0.47) HTR7DRD2HTR1AHTR2AHTR2C
SCHEMBL7808397 0.79 HTR7 (0.39) HTR7DRD2HTR1AMEN1MAPT
SCHEMBL7817592 0.78 HTR7 (0.43) HTR7DRD2HTR1AHTR2AHTR2C

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