SCHEMBL5503901

SCHEMBL5503901

Cc1cc(NC(=O)C(N)c2ccccc2)ccc1N1CCOCC1=O

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.60
EIF2AK3 Q9NZJ5 1/20 0.44
PTGS2 P35354 1/20 0.43

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
SCHEMBL4471621 0.89 F10 (0.55) F10
SCHEMBL5208178 0.86 F10 (0.60) F10
SCHEMBL5445168 0.84 F10 (0.63) F10PTGS2
SCHEMBL5209703 0.84 F10 (0.62) F10
SCHEMBL5216384 0.83 F10 (0.57) F10
SCHEMBL5507036 0.83 F10 (0.66) F10
SCHEMBL4001644 0.82 F10 (0.68) F10PTGS2
SCHEMBL4001639 0.82 F10 (0.68) F10PTGS2
SCHEMBL5212744 0.82 F10 (0.60) F10PTGS2
SCHEMBL5509017 0.82 F10 (0.56) F10

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