SCHEMBL13939079

SCHEMBL13939079

CC(C)CC(NC(=O)C(CC(N)=O)NC(=O)C(CCC(=O)O)NC(=O)CNC(=O)C1CCCN1C(=O)C(CCC(N)=O)NC(=O)C(Cc1ccc(OP(=O)(O)O)cc1)NC(=O)C(CCC(N)=O)NC(=O)C1CCCN1C(=O)C(CCC(=O)O)NC(=O)C(NC(=O)C(CO)NC(=O)C(N)C(C)O)C(C)O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPY2R P49146 8/20 0.55
▸ NPY4R P50391 8/20 0.55
▸ NPY5R Q15761 8/20 0.55
▸ NPY1R P25929 6/20 0.55
▸ STAT3 P40763 4/20 0.53
▸ RAMP3 O60896 1/20 0.53
▸ CALCR P30988 1/20 0.53
▸ NMUR2 Q9GZQ4 2/20 0.51
▸ NMUR1 Q9HB89 2/20 0.51
▸ F2 P00734 2/20 0.51
▸ SYK P43405 2/20 0.50

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
SCHEMBL13310299 0.94 NPY2R (0.51) NPY2RNPY4RNPY5RNPY1RSTAT3
SCHEMBL29973255 0.92 NPY2R (0.62) NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL29410248 0.84 NPY2R (0.62) NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL30432136 0.82 F2 (0.64) NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL30607404 0.81 NPY2R (0.63) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL29615826 0.81 NMUR2 (0.58) NPY2RNPY4RNPY5RNPY1RRAMP3
SCHEMBL30432324 0.81 F2 (0.62) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30607381 0.80 NPY2R (0.68) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL30974382 0.80 NTSR1 (0.57) NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL29710497 0.80 NTSR2 (0.57) NPY2RNPY4RNPY5RNPY1RCALCR

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
US-7476738-B2 Method for identifying molecular weight of a phosphoric acid monoester compound and an additive for mass spectrometry NARD INSTITUTE LTD. (JP) 2009-01-13 — — US disclosed
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