SCHEMBL13449162

SCHEMBL13449162

N=C(N)NCCC[C@H](NC(=O)C(NC(=O)C(c1ccccc1)C1CCCC1)c1ccccc1)C(=O)NCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ ADRA1D P25100 2/20 0.43
▸ ADRA1A P35348 2/20 0.43
▸ ADRA1B P35368 2/20 0.43
▸ HTR1E P28566 2/20 0.41
▸ S1PR3 Q99500 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TAOK1 Q7L7X3 1/20 0.39
▸ MMP1 P03956 1/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ MMP3 P08254 1/20 0.38
▸ GRIN1 Q05586 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
SCHEMBL13450342 0.90 NPY4R (0.45) TP53CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL4653101 0.83 NPY1R (0.54) —
SCHEMBL8529342 0.80 NPY1R (0.51) —
SCHEMBL30019494 0.78 FURIN (0.43) —
SCHEMBL29531971 0.76 NPY4R (0.51) —
SCHEMBL30903436 0.76 NPY4R (0.51) —
SCHEMBL9829773 0.75 HTR1E (0.64) TP53CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL13448837 0.75 NPY4R (0.52) —
SCHEMBL30437446 0.75 NPY4R (0.52) —
SCHEMBL30631962 0.75 C3AR1 (0.46) PRSS1PRSS2PRSS3

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
EP-2166018-A2 Antibody binding affinity ligands Novo Nordisk A/S (DK) 2010-03-24 — — EP disclosed
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