SCHEMBL5331767

SCHEMBL5331767

CC(C)C(OC(=O)CCCc1ccccc1)OC(=O)NC(=N)N(C)C(Cc1ccccc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FAAH O00519 14/20 0.40
HPGD P15428 1/20 0.38
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MGLL Q99685 4/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36

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
SCHEMBL5331040 0.90 HPGD (0.40) FAAHHPGDMGLLOPRM1OPRD1
SCHEMBL5331057 0.86 FAAH (0.38) FAAH
SCHEMBL5331768 0.83 ADRB2 (0.44) FAAHHPGDOPRM1OPRD1OPRK1
SCHEMBL5329662 0.83 EPHX2 (0.41) FAAHMMP2MGLL
SCHEMBL5330532 0.82 SMN1; SMN2 (0.41) FAAHHPGDMGLL
SCHEMBL5331113 0.80 TSHR (0.43) FAAH
SCHEMBL5331601 0.80 FAAH (0.39) FAAHHPGDMGLL
SCHEMBL5324746 0.77 FAAH (0.40) FAAH
SCHEMBL5331537 0.77 TSHR (0.46) FAAHOPRM1OPRD1OPRK1
SCHEMBL5330165 0.73 FOLH1 (0.39) FAAH

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-2007146086-A1 CREATINE PRODRUGS, COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2007-12-21 WO disclosed