SCHEMBL6465287

SCHEMBL6465287

CCCCN(C(=O)O)C(=O)N[C@@H](CCc1ccccc1)C(O)c1nc(C(=O)N(C)c2cccnc2)co1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.42
LMNA P02545 1/20 0.34
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
CAPN1 P07384 1/20 0.33
CTSL P07711 1/20 0.33
DAGLA Q9Y4D2 1/20 0.33
FAAH O00519 1/20 0.33
LONP1 P36776 1/20 0.32
PTAFR P25105 1/20 0.32
PSMB11 A5LHX3 1/20 0.32
PSMA7 O14818 1/20 0.32
PSMB1 P20618 1/20 0.32
PSMA1 P25786 1/20 0.32
PSMA2 P25787 1/20 0.32
PSMA3 P25788 1/20 0.32
PSMA4 P25789 1/20 0.32
PSMB8 P28062 1/20 0.32
PSMB9 P28065 1/20 0.32
PSMA5 P28066 1/20 0.32

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
SCHEMBL6465469 0.87 PPARG (0.35) DAGLAFAAHLONP1
SCHEMBL6463841 0.81 C3AR1 (0.37) LONP1
SCHEMBL6467249 0.78 TRPV1 (0.51) TRPV1DAGLA
SCHEMBL6475177 0.70 DAGLA (0.47) TRPV1DAGLA
SCHEMBL6466253 0.66 TMPRSS11D (0.38) CTSLPSMB1PSMB8PSMB5PSMB10
SCHEMBL7466136 0.65 FAAH (0.36) LMNADAGLAFAAH
SCHEMBL6466197 0.65 FAAH (0.36) LMNADAGLAFAAH
SCHEMBL6466207 0.64 DAGLA (0.46) DAGLA
SCHEMBL6464323 0.63 DAGLA (0.45) CTSLDAGLAFAAH
SCHEMBL7046608 0.63 CTSL (0.49) CTSLPSMB1

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