SCHEMBL7809270

SCHEMBL7809270

O=S1(=O)c2sccc2C(O)CC1CCCN1CCN(c2ccccn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.46
HTR7 P34969 7/20 0.44
POLB P06746 1/20 0.44
KCNH2 Q12809 1/20 0.44
HTR1A P08908 7/20 0.43
DRD2 P14416 6/20 0.43
HTR2A P28223 6/20 0.43
HTR6 P50406 2/20 0.43
DRD3 P35462 4/20 0.43
DRD4 P21917 3/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL7827647 0.85 HTR1A (0.51) HTR2CHTR7POLBKCNH2HTR1A
SCHEMBL7994758 0.81 HTR7 (0.41) HTR7DRD2DRD3DRD4SMN1; SMN2
SCHEMBL7819559 0.80 HTR7 (0.41) HTR2CHTR7KCNH2HTR1ADRD2
SCHEMBL7820294 0.77 HTR7 (0.45) HTR2CHTR7HTR1ADRD2HTR2A
SCHEMBL7819285 0.77 HTR7 (0.47) HTR2CHTR7POLBKCNH2HTR1A
SCHEMBL7818350 0.75 MAPT (0.41) HTR2CHTR7HTR1ADRD2HTR2A
SCHEMBL7818170 0.72 HTR2C (0.49) HTR2CHTR7HTR2AHTR6CYP1A2
SCHEMBL18301485 0.70 KCNH2 (0.69) HTR7POLBKCNH2HTR1ADRD2
SCHEMBL7819620 0.69 DRD4 (0.40) HTR7DRD4TMEM97SIGMAR1
SCHEMBL4519313 0.68 KCNH2 (0.85) HTR7POLBKCNH2HTR1ADRD2

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