SCHEMBL7756758

SCHEMBL7756758

Cn1c(=O)sc2cc(CCN3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 13/20 1.00
HTR1A P08908 5/20 0.63
HTR2C P28335 3/20 0.63
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
TMEM97 Q5BJF2 1/20 0.54
ACHE P22303 1/20 0.53

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
SCHEMBL7759816 0.87 SIGMAR1 (1.00) SIGMAR1HTR1AHTR2CACHE
SCHEMBL7756716 0.84 SIGMAR1 (1.00) SIGMAR1HTR1AHTR2CACHE
SCHEMBL7759846 0.80 SIGMAR1 (1.00) SIGMAR1HTR1AHTR2CACHE
SCHEMBL9449586 0.79 SIGMAR1 (0.69) SIGMAR1HTR1AHTR2C
SCHEMBL7762759 0.79 HTR1A (0.65) SIGMAR1HTR1AHTR2CACHE
SCHEMBL9232854 0.77 SIGMAR1 (1.00) SIGMAR1HTR1AHTR2C
SCHEMBL9449797 0.76 HTR1A (0.72) SIGMAR1HTR1AHTR2C
SCHEMBL8948102 0.76 SIGMAR1 (0.63) SIGMAR1HTR1AHTR2C
SCHEMBL7759827 0.75 SIGMAR1 (0.67) SIGMAR1HTR1AHTR2C
SCHEMBL8948162 0.75 SIGMAR1 (0.69) SIGMAR1HTR1AHTR2CTMEM97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0673934-B1 Aminoalkyl benzothiazolinones, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2001-04-25 EP claimed
CN-1111626-A Preparation and the pharmaceutical compositions which contain them ADIR (FR) 1995-11-15 CN claimed
EP-0673934-A1 Aminoalkyl benzothiazolinones, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1995-09-27 EP disclosed