SCHEMBL7756738

SCHEMBL7756738

COc1ccc(CNCCCc2ccc3c(c2)sc(=O)n3C)cc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
HTR1A P08908 5/20 0.50
HTR2C P28335 4/20 0.50
SIGMAR1 Q99720 11/20 0.48
CHRM2 P08172 1/20 0.48
TP53 P04637 1/20 0.46
THRB P10828 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
SCHEMBL8948181 0.87 SIGMAR1 (0.51) HTR1AHTR2CSIGMAR1CHRM2TP53
SCHEMBL8948196 0.87 SIGMAR1 (0.61) HTR1AHTR2CSIGMAR1
SCHEMBL8948338 0.83 HTR1A (0.54) HTR1AHTR2CSIGMAR1
SCHEMBL8948102 0.82 SIGMAR1 (0.63) POLBHTR1AHTR2CSIGMAR1
SCHEMBL8948245 0.79 SIGMAR1 (0.52) HTR1AHTR2CSIGMAR1
SCHEMBL7761677 0.77 PDE3B (0.56) POLBHTR1AHTR2CCHRM2
SCHEMBL8109676 0.76 SIGMAR1 (0.59) HTR1AHTR2CSIGMAR1
SCHEMBL27318311 0.76 SIGMAR1 (0.48) POLBHTR1AHTR2CSIGMAR1
SCHEMBL9685601 0.75 SIGMAR1 (0.60) HTR1AHTR2CSIGMAR1
Hydrochloric Acid SCHEMBL8871359 0.75 SIGMAR1 (0.58) HTR1AHTR2CSIGMAR1

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