SCHEMBL6467249

SCHEMBL6467249

CCCCN(C(=O)O)C(=O)N(CCCc1ccccc1)C(=O)c1nc(C(=O)N(C)c2cccnc2)co1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.51
DAGLA Q9Y4D2 5/20 0.45
CES1 P23141 1/20 0.38
GAA P10253 1/20 0.35
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 0.90 DAGLA (0.47) TRPV1DAGLACES1
SCHEMBL6466207 0.85 DAGLA (0.46) DAGLACES1TSHR
SCHEMBL6465287 0.78 TRPV1 (0.42) TRPV1DAGLA
SCHEMBL6467926 0.75 DAGLA (0.44) DAGLACES1GAA
SCHEMBL7567535 0.71 DAGLA (0.43) DAGLACES1
SCHEMBL6467326 0.70 FAAH (0.55) CES1
SCHEMBL6461816 0.69 DAGLA (0.42) DAGLACES1TSHR
SCHEMBL6467199 0.69 DAGLA (0.41) DAGLACES1GAA
SCHEMBL5401132 0.64 TRPV1 (0.51) TRPV1
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