SCHEMBL7756765

SCHEMBL7756765

CN1C[S+]([O-])c2cc(CCN3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)ccc21

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 17/20 0.58
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
TMEM97 Q5BJF2 1/20 0.56
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTR1A P08908 1/20 0.46
HTR7 P34969 1/20 0.46

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
SCHEMBL9230596 0.92 SIGMAR1 (0.54) SIGMAR1CYP1A2CYP2D6TMEM97POLB
SCHEMBL7759823 0.88 SIGMAR1 (0.48) SIGMAR1POLBHTR1A
SCHEMBL7756722 0.84 SIGMAR1 (0.53) SIGMAR1CYP1A2CYP2D6TMEM97POLB
SCHEMBL7759855 0.81 CCR3 (0.58) SIGMAR1HTR7
SCHEMBL9449597 0.80 SIGMAR1 (0.55) SIGMAR1CYP1A2CYP2D6TMEM97HTR1A
SCHEMBL7762764 0.79 KDM4E (0.55) SIGMAR1TMEM97SMN1; SMN2HTR1A
SCHEMBL9232860 0.78 SIGMAR1 (0.55) SIGMAR1TMEM97POLBHTR1AHTR7
Hydrochloric Acid SCHEMBL9449928 0.76 HTR1A (0.51) SIGMAR1TMEM97POLBHTR1A
SCHEMBL9449807 0.76 DRD2 (0.46) CYP1A2CYP2D6HTR1A
SCHEMBL7759833 0.76 SIGMAR1 (0.51) SIGMAR1CYP1A2POLB

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 4 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 claimed
EP-0673934-A1 Aminoalkyl benzothiazolinones, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1995-09-27 EP disclosed