SCHEMBL29376967

SCHEMBL29376967

CCCC[C@H](NC(=O)[C@H](CCCC)NC(=O)[C@@H](N)CCC(=O)O)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 7/20 0.53
▸ DPP8 Q6V1X1 5/20 0.50
▸ DPP9 Q86TI2 5/20 0.50
▸ DPP4 P27487 3/20 0.50
▸ GNPAT O15228 2/20 0.48
▸ DPP7 Q9UHL4 4/20 0.47
▸ FOLH1 Q04609 2/20 0.47
▸ PLA2G2C Q5R387 1/20 0.46
▸ RIMKLA Q8IXN7 1/20 0.45
▸ NAALAD2 Q9Y3Q0 1/20 0.45
▸ GRM8 O00222 1/20 0.44
▸ GRM6 O15303 1/20 0.44
▸ GRIN2D O15399 1/20 0.44
▸ GRIN3B O60391 1/20 0.44
▸ GSR P00390 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ GRIK1 P39086 1/20 0.44
▸ GRM5 P41594 1/20 0.44
▸ GRIA1 P42261 1/20 0.44
▸ GRIA2 P42262 1/20 0.44

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
SCHEMBL31674332 0.99 NOD1 (0.52) NOD1DPP8DPP9DPP4GNPAT
SCHEMBL29371375 0.97 NOD1 (0.56) NOD1DPP8DPP9DPP4GNPAT
SCHEMBL29843198 0.97 NOD1 (0.56) NOD1DPP8DPP9DPP4GNPAT
SCHEMBL29382397 0.96 NOD1 (0.54) NOD1DPP8DPP9DPP4GNPAT
SCHEMBL29684179 0.94 NOD1 (0.52) NOD1DPP8DPP9DPP4GNPAT
SCHEMBL29382412 0.91 NOD1 (0.55) NOD1DPP8DPP9DPP4DPP7
SCHEMBL30555003 0.91 DPP7 (0.55) NOD1DPP8DPP9DPP4DPP7
SCHEMBL31256792 0.90 FOLH1 (0.60) NOD1DPP8DPP9DPP4DPP7
SCHEMBL22316504 0.89 FOLH1 (0.54) NOD1DPP8DPP9DPP4GNPAT
SCHEMBL17941535 0.88 DPP4 (0.55) NOD1DPP8DPP9DPP4DPP7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4192853-A1 SOLUBLE NPY2 RECEPTOR AGONISTS Boehringer Ingelheim International GmbH (DE) 2023-06-14 — — EP disclosed
WO-2022029231-A1 SOLUBLE NPY2 RECEPTOR AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-02-10 — — WO disclosed
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