SCHEMBL27596047

SCHEMBL27596047

NCc1ccccc1N1CCC(N)(C(=O)O)CC1C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FABP5 Q01469 3/20 0.39
FABP7 O15540 2/20 0.39
GRM2 Q14416 5/20 0.38
GRM3 Q14832 3/20 0.38
KMT2A Q03164 2/20 0.37
EPHX2 P34913 1/20 0.35
GRM6 O15303 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CASP1 P29466 1/20 0.32

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 0.86 FABP5 (0.42) FABP5FABP7GRM2GRM3KMT2A
SCHEMBL4601214 0.86 FABP5 (0.38) FABP5FABP7GRM2GRM3KMT2A
SCHEMBL4601435 0.83 FABP5 (0.42) FABP5FABP7GRM2GRM3KMT2A
SCHEMBL27596048 0.83 EPHX2 (0.38) FABP5FABP7GRM2GRM3KMT2A
SCHEMBL4601160 0.82 FABP5 (0.39) FABP5FABP7GRM2GRM3KMT2A
SCHEMBL4600307 0.81 FABP5 (0.39) FABP5FABP7GRM2GRM3KMT2A
SCHEMBL4600355 0.80 EPHX2 (0.38) FABP5FABP7GRM2GRM3KMT2A
SCHEMBL4601923 0.79 FABP5 (0.40) FABP5FABP7GRM2EPHX2
SCHEMBL2190862 0.76 CASP1 (0.41) FABP5FABP7GRM2GRM3KMT2A
SCHEMBL28864147 0.73 EPHX2 (0.44) FABP5FABP7KMT2AEPHX2CA1

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