SCHEMBL29397161

SCHEMBL29397161

CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CN)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 7/20 0.49
▸ BACE2 Q9Y5Z0 2/20 0.49
▸ KISS1R Q969F8 3/20 0.48
▸ OPRM1 P35372 2/20 0.48
▸ OPRD1 P41143 2/20 0.48
▸ CTSD P07339 1/20 0.48
▸ OPRK1 P41145 1/20 0.47

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
SCHEMBL30576935 0.90 TFPI (0.57) BACE1BACE2CTSD
SCHEMBL31169687 0.89 NPY1R (0.51) BACE1BACE2KISS1ROPRM1OPRD1
SCHEMBL29538275 0.88 GNPAT (0.46) BACE1BACE2CTSD
SCHEMBL31134971 0.88 MME (0.47) BACE1BACE2OPRM1OPRD1CTSD
SCHEMBL29402983 0.87 BACE1 (0.55) BACE1BACE2CTSD
SCHEMBL30292594 0.87 CTSB (0.53) BACE1BACE2CTSD
SCHEMBL29824150 0.87 KISS1R (0.48) BACE1BACE2KISS1ROPRM1OPRD1
SCHEMBL30262125 0.86 TFPI (0.57) BACE1BACE2OPRM1OPRD1OPRK1
SCHEMBL31516071 0.86 TFPI (0.54) OPRM1OPRD1OPRK1
SCHEMBL38659224 0.86 BACE1 (0.60) BACE1BACE2CTSD

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-4196495-A1 EXENDIN-4 PEPTIDE ANALOGUES TXP Pharma GmbH (CH) 2023-06-21 — — EP disclosed
US-11273262-B2 Medicament delivery device with two drive springs SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2022-03-15 — — US disclosed
WO-2022034062-A1 EXENDIN-4 PEPTIDE ANALOGUES TXP PHARMA AG (CH) 2022-02-17 — — WO disclosed
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