SCHEMBL5505095

SCHEMBL5505095

Cc1cc(NC(=O)C(C)(C)NC(=O)Oc2ccc(Br)s2)ccc1N1CCOCS1(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.45
AR P10275 1/20 0.36
CNR2 P34972 6/20 0.34
CNR1 P21554 3/20 0.33
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
NPY2R P49146 1/20 0.32
THRB P10828 1/20 0.32
KIF18A Q8NI77 1/20 0.31

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
SCHEMBL4477334 0.87 F10 (0.59) F10ARHTT
SCHEMBL5503712 0.86 F10 (0.38) F10ARNPY2R
SCHEMBL5510944 0.85 F10 (0.38) F10ARNPY2R
SCHEMBL5507256 0.83 F10 (0.39) F10ARNPY2R
SCHEMBL5504066 0.79 F10 (0.46) F10ARCNR2CNR1NPY2R
SCHEMBL5517405 0.77 F10 (0.40) F10ARCNR2NPY2R
SCHEMBL5505635 0.77 F10 (0.45) F10ARNPY2R
SCHEMBL5505524 0.76 F10 (0.40) F10ARNPY2R
SCHEMBL5504077 0.76 F10 (0.42) F10ARNPY2R
SCHEMBL5512209 0.75 F10 (0.66) F10ARCNR2ALDH1A1HTT

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-1747217-A1 NOVEL SUBSTITUTED THIOPHENECARBOXAMIDES, THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2007-01-31 EP disclosed
WO-2005111029-A1 NOVEL SUBSTITUTED THIOPHENECARBOXAMIDES, THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 WO disclosed