SCHEMBL6465469

SCHEMBL6465469

CCCCN(C(=O)O)C(=O)N[C@@H](CCc1ccccc1)C(O)c1nc(C(=O)N(C)c2ccccn2)co1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
DAGLA Q9Y4D2 1/20 0.33
FAAH O00519 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
CA2 P00918 1/20 0.31
TSHR P16473 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
LONP1 P36776 1/20 0.30

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
SCHEMBL6465287 0.87 TRPV1 (0.42) DAGLAFAAHLONP1
SCHEMBL6463841 0.82 C3AR1 (0.37) TSHRCYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL6466207 0.77 DAGLA (0.46) PPARGPPARADAGLATSHR
SCHEMBL7049142 0.73 ANPEP (0.37) CA2
SCHEMBL7044813 0.71 KMT2A (0.34) DAGLATSHRKMT2A
SCHEMBL7466136 0.66 FAAH (0.36) PPARGPPARADAGLAFAAHSMN1; SMN2
SCHEMBL6466197 0.66 FAAH (0.36) PPARGPPARADAGLAFAAHSMN1; SMN2
SCHEMBL6466253 0.64 TMPRSS11D (0.38)
SCHEMBL6464323 0.64 DAGLA (0.45) DAGLAFAAH
SCHEMBL6462329 0.64 PLA2G4A (0.44)

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