SCHEMBL5265477

SCHEMBL5265477

O=C(OC(=O)c1cncc(OC(=O)N2CCC(Oc3ccc(O)cc3)CC2)c1)C(=O)OC(=O)c1cncc(OC(=O)N2CCC(Oc3ccc(O)cc3)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
HTT P42858 1/20 0.44
FAAH O00519 2/20 0.42
PKM P14618 1/20 0.39
PRMT5 O14744 1/20 0.39
NAMPT P43490 2/20 0.38
MAP4K4 O95819 1/20 0.38
GPR119 Q8TDV5 2/20 0.37
CHEK2 O96017 1/20 0.37

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
SCHEMBL1532824 0.88 FAAH (0.52) ALDH1A1HTTFAAHPRMT5NAMPT
Oxalic Acid SCHEMBL5265472 0.86 FAAH (0.51) ALDH1A1HTTFAAHPKMPRMT5
SCHEMBL1532799 0.78 ALDH1A1 (0.55) ALDH1A1HTTFAAHPKMNAMPT
SCHEMBL1532688 0.77 FAAH (0.47) ALDH1A1HTTFAAHPRMT5
SCHEMBL1532829 0.76 FAAH (0.54) ALDH1A1HTTFAAHPRMT5
SCHEMBL12735977 0.76 MRGPRX4 (0.50) ALDH1A1HTTFAAHPKMPRMT5
SCHEMBL12735975 0.74 FAAH (0.48) ALDH1A1HTTFAAHPRMT5
SCHEMBL12735967 0.74 FAAH (0.44) ALDH1A1HTTFAAHPKMNAMPT
SCHEMBL1533056 0.73 FAAH (0.47) ALDH1A1HTTFAAHPKMNAMPT
SCHEMBL17559339 0.73 PRMT5 (0.45) ALDH1A1HTTPRMT5GPR119

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2607362-A1 Piperidine and piperazine carboxylates as FAAH inhibitors Astellas Pharma Inc. (JP) 2013-06-26 EP disclosed
EP-1849773-A1 PYRIDYL NON-AROMATIC NITROGENATED HETEROCYCLIC-1-CARBOXYLATE ESTER DERIVATIVE Astellas Pharma Inc. (JP) 2007-10-31 EP disclosed