SCHEMBL6888941

SCHEMBL6888941

N=C(N)NCCC[C@H](N)C(=O)NCc1ccc2ccc(=O)oc2c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.43
DRD4 P21917 6/20 0.41
DRD2 P14416 4/20 0.40
DRD3 P35462 1/20 0.40
NPY4R P50391 6/20 0.40
NPY1R P25929 5/20 0.40
NPY2R P49146 4/20 0.40
NPY5R Q15761 4/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA4 P22748 2/20 0.40
CA5A P35218 2/20 0.40
CA7 P43166 2/20 0.40
CA5B Q9Y2D0 2/20 0.40
CA3 P07451 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL6887132 0.92 NPY4R (0.48) MAOBDRD4NPY4RNPY1RNPY2R
Arginine SCHEMBL19410729 0.78 CA12 (0.44) MAOBDRD4DRD3CA12CA1
Arginine SCHEMBL19410730 0.78 CA12 (0.44) MAOBDRD4DRD3CA12CA1
SCHEMBL30905443 0.78 NPY4R (0.55) NPY4RNPY1RNPY2RNPY5R
SCHEMBL7260360 0.78 PTGER4 (0.52)
Water SCHEMBL8529560 0.77 SPHK1 (0.48) NPY4RNPY1RNPY2RNPY5R
SCHEMBL7416564 0.77 MMP2 (0.48) NPY4RNPY1RNPY2RNPY5R
SCHEMBL7530376 0.77 MMP2 (0.48) NPY4RNPY1RNPY2RNPY5R
SCHEMBL7530381 0.77 MMP2 (0.48) NPY4RNPY1RNPY2RNPY5R
SCHEMBL4796989 0.76 MAOB (0.46) MAOB

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-1401818-A2 TARGETED MULTIVALENT MACROMOLECULES Targesome, Inc. (US) 2004-03-31 EP disclosed
WO-2002096367-A2 TARGETED MULTIVALENT MACROMOLECULES TARGESOME, INC. (US) 2002-12-05 WO disclosed