SCHEMBL16359306

SCHEMBL16359306

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

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NMT1 P30419 5/20 0.54
▸ NMT2 O60551 4/20 0.54
▸ NPY4R P50391 7/20 0.49
▸ NPY5R Q15761 6/20 0.49
▸ NPY1R P25929 5/20 0.49
▸ NPY2R P49146 3/20 0.49
▸ TLR2 O60603 1/20 0.47
▸ SLC6A5 Q9Y345 1/20 0.42
▸ ROCK2 O75116 2/20 0.41
▸ PRKACA P17612 1/20 0.41
▸ AKT3 Q9Y243 1/20 0.41
▸ PLA2G10 O15496 1/20 0.41

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
SCHEMBL16359357 1.00 NMT1 (0.54) NMT1NMT2NPY4RNPY5RNPY1R
SCHEMBL13363643 0.94 NMT2 (0.49) NMT1NMT2NPY4RNPY5RNPY1R
SCHEMBL26168056 0.93 NMT2 (0.47) NMT1NMT2NPY4RNPY5RNPY1R
SCHEMBL19772469 0.93 NMT2 (0.47) NMT1NMT2NPY4RNPY5RNPY1R
SCHEMBL10592847 0.92 NMT1 (0.50) NMT1NMT2NPY4RNPY5RNPY1R
SCHEMBL3054641 0.90 TLR2 (0.60) NMT1NMT2NPY4RNPY5RNPY1R
SCHEMBL29395483 0.88 TLR2 (0.55) NMT1NMT2NPY4RNPY5RNPY1R
SCHEMBL10046596 0.88 TLR2 (0.63) NMT1NMT2NPY4RNPY5RNPY1R
SCHEMBL18862080 0.87 NPY4R (0.48) NMT1NMT2NPY4RNPY5RNPY1R
SCHEMBL26890960 0.86 NMT1 (0.52) NMT1NMT2NPY4RNPY5RNPY1R

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
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