SCHEMBL9120261

SCHEMBL9120261

CC(CCl)COc1cccc2c1SCCC2

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.58
ADRA2A P08913 1/20 0.58
SLC6A2 P23975 1/20 0.58
SLC6A4 P31645 1/20 0.58
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MCHR1 Q99705 1/20 0.30

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
SCHEMBL9219445 0.84 SLC6A4 (0.67) HTR1AADRA2ASLC6A2SLC6A4TSHR
SCHEMBL8317904 0.79 HTR1A (0.51) HTR1AADRA2ASLC6A2SLC6A4L3MBTL1
SCHEMBL9123064 0.76 HTR1A (0.67) HTR1AADRA2ASLC6A2SLC6A4TSHR
SCHEMBL9120892 0.75 HTR1A (0.60) HTR1AADRA2ASLC6A2SLC6A4TSHR
SCHEMBL9122776 0.74 LMNA (0.49) HTR1AADRA2ASLC6A2SLC6A4TSHR
SCHEMBL7524469 0.73 HTR1A (0.51) HTR1AADRA2ASLC6A2SLC6A4L3MBTL1
SCHEMBL7524020 0.73 HTR1A (0.51) HTR1AADRA2ASLC6A2SLC6A4L3MBTL1
Tertatolol SCHEMBL49634 0.73 HTR1A (1.00) HTR1AADRA2ASLC6A2SLC6A4TSHR
Tertatolol SCHEMBL49635 0.73 HTR1A (1.00) HTR1AADRA2ASLC6A2SLC6A4TSHR
Tertatolol SCHEMBL6513139 0.73 HTR1A (1.00) HTR1AADRA2ASLC6A2SLC6A4TSHR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0571243-B1 Thiochromane derivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1995-07-26 EP disclosed
US-5389668-A Thiochroman compounds ADIR ET COMPAGNIE (FR) 1995-02-14 US disclosed
US-5385930-A Treating central nervous system disorders like anxiety and depression ADIR ET COMPAGNIE (FR) 1995-01-31 US disclosed
US-5371103-A Thiochroman compounds ADIR ET COMPAGNIE (FR) 1994-12-06 US disclosed
US-5332741-A Antidepressants ADIR ET COMPAGNIE (FR) 1994-07-26 US disclosed
EP-0571243-A1 Thiochromane derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1993-11-24 EP disclosed