SCHEMBL29532168

SCHEMBL29532168

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 5/20 0.46
▸ CTSD P07339 2/20 0.46
▸ NPY1R P25929 1/20 0.46
▸ NPY2R P49146 1/20 0.46
▸ NPY4R P50391 1/20 0.46
▸ GSR P00390 1/20 0.43
▸ DPP8 Q6V1X1 1/20 0.42
▸ DPP9 Q86TI2 1/20 0.42
▸ DPP7 Q9UHL4 1/20 0.42
▸ ERAP2 Q6P179 1/20 0.42
▸ ERAP1 Q9NZ08 1/20 0.42
▸ LNPEP Q9UIQ6 1/20 0.42
▸ ECE1 P42892 1/20 0.42
▸ FOLH1 Q04609 4/20 0.42
▸ NTSR2 O95665 2/20 0.41
▸ NTSR1 P30989 2/20 0.41
▸ ALDH1A1 P00352 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
SCHEMBL30602869 1.00 BACE1 (0.46) BACE1CTSDNPY1RNPY2RNPY4R
SCHEMBL29740735 0.91 NPY1R (0.50) NPY1RNPY2RNPY4RGSRDPP8
SCHEMBL30397735 0.91 NPY1R (0.50) NPY1RNPY2RNPY4RGSRDPP8
SCHEMBL29531457 0.91 GSR (0.51) NPY1RNPY2RNPY4RGSRDPP8
SCHEMBL8013829 0.91 GSR (0.51) NPY1RNPY2RNPY4RGSRDPP8
SCHEMBL20818872 0.91 GSR (0.51) NPY1RNPY2RNPY4RGSRDPP8
SCHEMBL9848654 0.90 BACE1 (0.55) BACE1CTSD
SCHEMBL29455900 0.90 NPY1R (0.46) BACE1CTSDNPY1RNPY2RNPY4R
SCHEMBL30712173 0.90 ERAP2 (0.52) BACE1CTSDNPY1RNPY2RNPY4R
SCHEMBL29682467 0.90 NPY4R (0.52) NPY1RNPY2RNPY4RGSRDPP8

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
US-20230393140-A1 BINDING ASSAYS INVOLVING A PLURALITY OF SYNTHETIC COMPOUNDS, TARGETS, AND COUNTER TARGETS SRI INTERNATIONAL (US) 2023-12-07 — — US disclosed
EP-4229211-A1 BINDING ASSAYS INVOLVING A PLURALITY OF SYNTHETIC COMPOUNDS, TARGETS, AND COUNTER TARGETS SRI International (US) 2023-08-23 — — EP disclosed
WO-2022082006-A1 BINDING ASSAYS INVOLVING A PLURALITY OF SYNTHETIC COMPOUNDS, TARGETS, AND COUNTER TARGETS SRI INTERNATIONAL (US) 2022-04-21 — — WO disclosed
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