SCHEMBL30481161

SCHEMBL30481161

CCCC[C@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)CN)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 6/20 0.43
▸ SIRT6 Q8N6T7 1/20 0.41
▸ SIRT1 Q96EB6 1/20 0.41
▸ SLC6A5 Q9Y345 2/20 0.41
▸ GLP1R P43220 8/20 0.39
▸ EPHX2 P34913 1/20 0.38
▸ QRFPR Q96P65 2/20 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
SCHEMBL30481170 1.00 NOD1 (0.43) NOD1SIRT6SIRT1SLC6A5GLP1R
SCHEMBL29875551 0.94 C3AR1 (0.40) NOD1SIRT6SIRT1SLC6A5QRFPR
SCHEMBL30471509 0.92 NOD1 (0.46) NOD1SIRT6SIRT1SLC6A5EPHX2
SCHEMBL31593243 0.90 SLC15A2 (0.43) SIRT6SIRT1SLC6A5QRFPR
SCHEMBL5522251 0.89 NOD1 (0.42) NOD1SIRT6SIRT1SLC6A5GLP1R
SCHEMBL29630536 0.88 QRFPR (0.42) NOD1QRFPR
SCHEMBL29630598 0.88 QRFPR (0.42) QRFPR
SCHEMBL17930107 0.88 SLC15A2 (0.47) SIRT6SIRT1SLC6A5QRFPR
SCHEMBL12646501 0.87 ITGB3 (0.38) EPHX2QRFPR
SCHEMBL31593280 0.87 NPY4R (0.39) SIRT6SIRT1QRFPR

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
EP-4444352-A1 COMPOSITIONS AND METHODS FOR ORAL ADMINISTRATION IMAGINE PHARMA, LLC (US) 2024-10-16 — — EP disclosed
WO-2023108126-A9 COMPOSITIONS AND METHODS FOR ORAL ADMINISTRATION IMAGINE PHARMA LLC (US) 2023-08-24 — — WO disclosed
WO-2023108126-A1 COMPOSITIONS AND METHODS FOR ORAL ADMINISTRATION IMAGINE PHARMA LLC (US) 2023-06-15 — — WO disclosed
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