SCHEMBL4678772

SCHEMBL4678772

O=CN(OCC1c2ccccc2-c2ccccc21)c1ccccc1C1CCN(C(=O)O)CC1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.36
MEN1 O00255 3/20 0.36
RBP4 P02753 2/20 0.35
OPRD1 P41143 1/20 0.35
TSHR P16473 1/20 0.35
FABP5 Q01469 3/20 0.34
FABP7 O15540 2/20 0.34
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MAPK1 P28482 1/20 0.32
PTGDR2 Q9Y5Y4 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
Hydrochloric Acid SCHEMBL4676067 0.80 HTR2C (0.39) CA1CA2
SCHEMBL4678774 0.72 EPHX2 (0.48) KMT2AOPRD1
SCHEMBL6605558 0.71 MEN1 (0.47) KMT2AMEN1RBP4TSHR
SCHEMBL2358709 0.71 FABP5 (0.54) KMT2AMEN1TSHRFABP5FABP7
SCHEMBL14764282 0.70 FABP5 (0.39) KMT2AMEN1FABP5FABP7CA1
SCHEMBL3219970 0.70 FABP5 (0.49) KMT2AOPRD1TSHRFABP5FABP7
SCHEMBL6606751 0.70 MEN1 (0.44) KMT2AMEN1RBP4
SCHEMBL4706660 0.68 ALDH1A1 (0.48) KMT2AMEN1TSHRFABP5FABP7
SCHEMBL18687757 0.67 L3MBTL1 (0.46) KMT2AMEN1TSHRFABP5FABP7
SCHEMBL2101664 0.67 RBP4 (0.47) KMT2AMEN1RBP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1416933-B8 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC (US) 2008-08-27 EP disclosed
EP-1416933-A1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR Amgem, Inc. (US) 2004-05-12 EP disclosed
WO-2003009847-A1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEM, INC. (US) 2003-02-06 WO disclosed