SCHEMBL27596048

SCHEMBL27596048

NCc1cccc(N2CCC(N)(C(=O)O)CC2C(=O)OCC2c3ccccc3-c3ccccc32)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.38
FABP5 Q01469 3/20 0.37
FABP7 O15540 2/20 0.37
KMT2A Q03164 2/20 0.35
GRM6 O15303 1/20 0.35
GRM2 Q14416 4/20 0.34
OPRD1 P41143 1/20 0.33
GRM3 Q14832 2/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL4600775 0.90 FABP5 (0.42) EPHX2FABP5FABP7KMT2AGRM6
SCHEMBL4600355 0.89 EPHX2 (0.38) EPHX2FABP5FABP7KMT2AGRM6
SCHEMBL4601923 0.88 FABP5 (0.40) EPHX2FABP5FABP7GRM2
SCHEMBL4601435 0.84 FABP5 (0.42) EPHX2FABP5FABP7KMT2AGRM6
SCHEMBL4601160 0.84 FABP5 (0.39) EPHX2FABP5FABP7KMT2AGRM6
SCHEMBL27596047 0.83 FABP5 (0.39) EPHX2FABP5FABP7KMT2AGRM6
SCHEMBL4600307 0.83 FABP5 (0.39) EPHX2FABP5FABP7KMT2AGRM6
SCHEMBL4601214 0.79 FABP5 (0.38) EPHX2FABP5FABP7KMT2AGRM6
SCHEMBL2190862 0.74 CASP1 (0.41) EPHX2FABP5FABP7KMT2AGRM2
SCHEMBL28864147 0.71 EPHX2 (0.44) EPHX2FABP5FABP7KMT2ADPP8

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
CN-100491396-C Selective cyclic peptides HOFFMANN LA ROCHE (CH) 2009-05-27 CN disclosed
CN-1451017-A Selective cyclic peptides HOFFMANN LA ROCHE (CH) 2003-10-22 CN disclosed