SCHEMBL9230596

SCHEMBL9230596

CN1C[S+]([O-])c2cc(CCCCN3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)ccc21

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 16/20 0.54
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47
CACNA1G O43497 2/20 0.45
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL7756765 0.92 SIGMAR1 (0.58) SIGMAR1CYP1A2CYP2D6TMEM97POLB
SCHEMBL7759855 0.89 CCR3 (0.58) SIGMAR1
SCHEMBL9232860 0.85 SIGMAR1 (0.55) SIGMAR1TMEM97CACNA1GPOLB
SCHEMBL9449991 0.84 SIGMAR1 (0.47) SIGMAR1CYP1A2POLBSMN1; SMN2
SCHEMBL7759823 0.81 SIGMAR1 (0.48) SIGMAR1POLB
SCHEMBL7759833 0.80 SIGMAR1 (0.51) SIGMAR1CYP1A2POLB
SCHEMBL8948173 0.80 SIGMAR1 (0.46) SIGMAR1
SCHEMBL9449597 0.79 SIGMAR1 (0.55) SIGMAR1CYP1A2CYP2D6TMEM97
SCHEMBL8948263 0.79 SIGMAR1 (0.48) SIGMAR1TMEM97
SCHEMBL9449863 0.78 HTR1A (0.58) SIGMAR1TMEM97

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

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