SCHEMBL6466207

SCHEMBL6466207

CCCCN(C(=O)O)C(=O)N(CCCc1ccccc1)C(=O)c1nc(C(=O)N(C)c2ccccn2)co1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 5/20 0.46
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
CES1 P23141 2/20 0.38
TSHR P16473 1/20 0.35

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
SCHEMBL6475177 0.88 DAGLA (0.47) DAGLACES1
SCHEMBL6467249 0.85 TRPV1 (0.51) DAGLACES1TSHR
SCHEMBL6467926 0.76 DAGLA (0.44) DAGLACES1
SCHEMBL7567535 0.72 DAGLA (0.43) DAGLACES1
SCHEMBL6467326 0.71 FAAH (0.55) CES1
SCHEMBL6461816 0.70 DAGLA (0.42) DAGLACES1TSHR
SCHEMBL6467199 0.70 DAGLA (0.41) DAGLACES1
SCHEMBL7049295 0.67 DAGLA (0.41) DAGLACES1
SCHEMBL5509028 0.64 POLB (0.55) TSHR
SCHEMBL2162397 0.63 DAGLA (1.00) DAGLACES1

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-1516877-A1 Amine derivatives as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-23 EP disclosed