SCHEMBL30422914

SCHEMBL30422914

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 2/20 0.39
▸ ITGB1 P05556 2/20 0.39
▸ ITGAV P06756 2/20 0.39
▸ ITGA5 P08648 2/20 0.39
▸ MDM2 Q00987 2/20 0.39
▸ MDM4 O15151 1/20 0.39
▸ ENPEP Q07075 5/20 0.38
▸ TERT O14746 1/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ KEAP1 Q14145 1/20 0.37
▸ CTSD P07339 2/20 0.37
▸ GNPAT O15228 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ GSTK1 Q9Y2Q3 1/20 0.36
▸ CTSB P07858 1/20 0.36

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
SCHEMBL31021037 0.88 OPRM1 (0.41) TERTOPRD1CTSDCTSB
SCHEMBL29496724 0.86 CA2 (0.46) ENPEPTERTPTGS1GSTK1
SCHEMBL30683407 0.86 ENPEP (0.45) ENPEPCTSDGNPAT
SCHEMBL29349612 0.85 ALDH1A1 (0.42) TERTOPRD1
SCHEMBL7308309 0.84 ERAP2 (0.40) ENPEPTERTOPRD1KEAP1CTSD
SCHEMBL31410670 0.84 OPRD1 (0.40) OPRD1KEAP1CTSD
SCHEMBL6891224 0.84 OPRM1 (0.38) ITGB3ITGB1ITGAVITGA5MDM2
SCHEMBL6891220 0.84 OPRM1 (0.38) ITGB3ITGB1ITGAVITGA5MDM2
SCHEMBL31410681 0.83 BACE1 (0.44) OPRD1CTSD
SCHEMBL30720815 0.82 BACE1 (0.46) ENPEPOPRD1CTSDPTGS1GSTK1

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
CN-119462820-A Carboline hexahydropyrazine-1, 4-diketone-3-acetyl-Gly-Gly as well as preparation and application thereof 首都医科大学 2025-02-18 — — CN disclosed
CN-119390755-A Carboline hexahydropyrazine-1, 4-diketone-3-acetyl-Val-Val, preparation and application thereof 首都医科大学 2025-02-07 — — CN disclosed
US-11667694-B2 Therapeutic uses of fibrinogen gamma prime variants FIBRIANT B.V. (NL) 2023-06-06 — — US disclosed
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