SCHEMBL12495677

SCHEMBL12495677

N#CC1CCC[C@@H]2SCCC(NC(=O)O)C(=O)N12

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.44
APP P05067 1/20 0.44
MME P08473 1/20 0.44
PREP P48147 2/20 0.41
DPP4 P27487 3/20 0.37
XIAP P98170 1/20 0.33

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
SCHEMBL17770859 0.83 PREP (0.41) ACEAPPMMEPREP
SCHEMBL12494748 0.80 ACE (0.48) ACEAPPMMEXIAP
SCHEMBL17771375 0.79 ACE (0.61) ACEAPPMMEPREP
SCHEMBL12494366 0.79 ACE (0.47) ACEAPPMMEXIAP
SCHEMBL12495036 0.79 ACE (0.47) ACEAPPMMEXIAP
SCHEMBL12494394 0.79 ACE (0.53) ACEAPPMMEXIAP
SCHEMBL12493927 0.79 ACE (0.47) ACEAPPMMEXIAP
SCHEMBL12495203 0.79 ACE (0.53) ACEAPPMMEXIAP
SCHEMBL12495449 0.78 ACE (0.44) ACEAPPMMEXIAP
SCHEMBL12493811 0.78 ACE (0.44) ACEAPPMMEXIAP

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
WO-2012125622-A1 SUBSTITUTED ADIPIC ACID AMIDES AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-20 WO disclosed