SCHEMBL29531457

SCHEMBL29531457

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSR P00390 1/20 0.51
▸ DPP8 Q6V1X1 1/20 0.49
▸ DPP9 Q86TI2 1/20 0.49
▸ DPP7 Q9UHL4 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ ERAP2 Q6P179 1/20 0.47
▸ ERAP1 Q9NZ08 1/20 0.47
▸ LNPEP Q9UIQ6 1/20 0.47
▸ NPY1R P25929 1/20 0.47
▸ NPY2R P49146 1/20 0.47
▸ NPY4R P50391 1/20 0.47
▸ LAP3 P28838 3/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ CPB2 Q96IY4 2/20 0.46
▸ GNAI3 P08754 1/20 0.46
▸ GNAO1 P09471 1/20 0.46
▸ GNAI1 P63096 1/20 0.46
▸ FOLH1 Q04609 4/20 0.45

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
SCHEMBL8013829 1.00 GSR (0.51) GSRDPP8DPP9DPP7ALDH1A1
SCHEMBL20818872 1.00 GSR (0.51) GSRDPP8DPP9DPP7ALDH1A1
SCHEMBL30397735 0.97 NPY1R (0.50) GSRDPP8DPP9DPP7ALDH1A1
SCHEMBL29740735 0.97 NPY1R (0.50) GSRDPP8DPP9DPP7ALDH1A1
SCHEMBL29682467 0.96 NPY4R (0.52) GSRDPP8DPP9DPP7ALDH1A1
SCHEMBL29630471 0.94 NPY4R (0.53) GSRDPP8DPP9DPP7ALDH1A1
SCHEMBL31573967 0.93 NMT2 (0.48) GSRDPP8DPP9DPP7ALDH1A1
SCHEMBL31343172 0.93 NPY4R (0.52) GSRDPP8DPP9DPP7ERAP2
SCHEMBL29404079 0.93 NPY4R (0.52) GSRDPP8DPP9DPP7ERAP2
SCHEMBL29384387 0.92 NTSR2 (0.45) GSRDPP8DPP9DPP7ALDH1A1

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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