SCHEMBL14217477

SCHEMBL14217477

CCCCOC(=O)N(CCC(C)C)Cc1ccc(-c2cccc(C)c2)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
FAAH O00519 8/20 0.40
PTGS2 P35354 8/20 0.40
LPAR1 Q92633 2/20 0.37
LPAR5 Q9H1C0 2/20 0.37
AGTR2 P50052 2/20 0.35
RARB P10826 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
SCHEMBL13638253 0.89 FAAH (0.39) AKR1C3AKR1C2FAAHPTGS2LPAR1
SCHEMBL13638283 0.89 FAAH (0.39) FAAHPTGS2LPAR1LPAR5AGTR2
SCHEMBL13638254 0.84 FAAH (0.36) AKR1C3AKR1C2FAAHPTGS2LPAR1
SCHEMBL13638403 0.81 LPAR1 (0.40) LPAR1LPAR5
SCHEMBL13638171 0.77 RARB (0.39) LPAR1LPAR5AGTR2RARB
SCHEMBL4073264 0.76 PTGDR2 (0.38) LPAR1LPAR5
SCHEMBL4493480 0.74 F2 (0.39) AKR1C3AKR1C2FAAHLPAR1LPAR5
SCHEMBL13638404 0.74 MAPT (0.38) AGTR2RARB
SCHEMBL14252000 0.74 LPAR1 (0.41) LPAR1LPAR5
SCHEMBL13638168 0.73 RARB (0.44) LPAR1LPAR5RARB

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-2008059335-A1 DIARYL, DIPYRIDINYL AND ARYL-PYRIDINYL DERIVATIVES AND USES THEREOF PFIZER PRODUCTS INC. (US) 2008-05-22 WO disclosed