SCHEMBL16359362

SCHEMBL16359362

CC[C@H](NC(=O)CCO)C(=O)N[C@H](CC(C)C)C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 4/20 0.39
NPY4R P50391 4/20 0.39
NPY1R P25929 3/20 0.39
NPY2R P49146 1/20 0.39
BIRC2 Q13490 1/20 0.38
NOD1 Q9Y239 1/20 0.38
HPGDS O60760 2/20 0.37
REN P00797 1/20 0.36
NMT2 O60551 1/20 0.36
NMT1 P30419 1/20 0.36
MMP1 P03956 1/20 0.36
FCER2 P06734 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
PSMB5 P28074 1/20 0.35
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35
MMP8 P22894 2/20 0.35
ECE1 P42892 1/20 0.35

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
SCHEMBL7359768 0.84 ECE1 (0.49) NPY5RNPY4RNPY1RNPY2RBIRC2
SCHEMBL16359363 0.81 OPRM1 (0.39) NPY5RNPY4RNPY1RNPY2RNOD1
SCHEMBL20951250 0.79 PSMB5 (0.43) NPY5RNPY4RNPY1RNPY2RNOD1
SCHEMBL20951249 0.79 PSMB5 (0.43) NPY5RNPY4RNPY1RNPY2RNOD1
SCHEMBL16306472 0.79 PSMB5 (0.44) NOD1HPGDSCA12CA1CA9
SCHEMBL20951291 0.77 NMT2 (0.42) NPY5RNPY4RNPY1RNPY2RNOD1
SCHEMBL20951290 0.77 NMT2 (0.42) NPY5RNPY4RNPY1RNPY2RNOD1
SCHEMBL18862268 0.76 NOD1 (0.43) NPY5RNPY4RNPY1RNPY2RNOD1
SCHEMBL20385911 0.76 NOD1 (0.43) NPY5RNPY4RNPY1RNPY2RNOD1
SCHEMBL18857596 0.76 NOD1 (0.43) NPY5RNPY4RNPY1RNPY2RNOD1

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-2010053548-A2 PTHR1 RECEPTOR COMPOUNDS ANCHOR THERAPEUTICS, INC. (US) 2010-05-14 WO disclosed