SCHEMBL30184241

SCHEMBL30184241

CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 7/20 0.54
▸ EGFR P00533 1/20 0.52
▸ FURIN P09958 5/20 0.49
▸ PCSK6 P29122 1/20 0.49
▸ GRIN2D O15399 1/20 0.49
▸ GRIN3B O60391 1/20 0.49
▸ GRIN1 Q05586 1/20 0.49
▸ GRIN2A Q12879 1/20 0.49
▸ GRIN2B Q13224 1/20 0.49
▸ GRIN2C Q14957 1/20 0.49
▸ GRIN3A Q8TCU5 1/20 0.49
▸ NPY1R P25929 1/20 0.48
▸ NPY2R P49146 1/20 0.48
▸ NPY4R P50391 1/20 0.48
▸ CCNA2 P20248 2/20 0.46
▸ CDK2 P24941 2/20 0.46
▸ CCNA1 P78396 2/20 0.46
▸ SIRT2 Q8IXJ6 1/20 0.45
▸ SIRT5 Q9NXA8 1/20 0.45
▸ F2 P00734 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
SCHEMBL29904521 0.87 EGFR (0.54) BACE1EGFRFURINPCSK6GRIN2D
SCHEMBL29364756 0.86 NPY1R (0.57) EGFRFURINPCSK6GRIN2DGRIN3B
SCHEMBL29389069 0.85 BACE1 (0.51) BACE1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29973381 0.85 BACE1 (0.51) BACE1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29386588 0.85 BACE1 (0.51) BACE1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30023295 0.84 EGFR (0.52) BACE1EGFRFURINPCSK6GRIN2D
SCHEMBL30432819 0.84 BACE1 (0.55) BACE1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8983878 0.83 BACE1 (0.54) BACE1BACE2CTSD
SCHEMBL8983897 0.83 BACE1 (0.54) BACE1BACE2CTSD
SCHEMBL29711237 0.83 BACE1 (0.49) BACE1GRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250034551-A1 METHODS AND SYSTEMS FOR HIGH-THROUGHPUT BIOCHEMICAL SCREENS NATIONAL SCIENCE FOUNDATION 2025-01-30 — — US disclosed
US-20240366738-A1 MOLECULAR VACCINES FOR INFECTIOUS DISEASE AGILENT TECHNOLOGIES INC (US) 2024-11-07 — — US disclosed
EP-4426882-A1 METHODS AND SYSTEMS FOR HIGH-THROUGHPUT BIOCHEMICAL SCREENS Think Bioscience, Inc. (US) 2024-09-11 — — EP disclosed
US-11992518-B2 Molecular vaccines for infectious disease AGILENT TECHNOLOGIES, INC. (US) 2024-05-28 — — US disclosed
US-20240117017-A1 HIV VACCINES AND METHODS OF MAKING AND USING GILEAD SCIENCES, INC. 2024-04-11 — — US disclosed
US-11795210-B2 HIV vaccines and methods of making and using GILEAD SCIENCES, INC. (US) 2023-10-24 — — US disclosed
WO-2023081783-A1 METHODS AND SYSTEMS FOR HIGH-THROUGHPUT BIOCHEMICAL SCREENS THINK BIOSCIENCE, INC. (US) 2023-05-11 — — WO disclosed
EP-4118098-A1 METHODS AND COMPOSITION FOR GENE DELIVERY USING AN ENGINEERED VIRAL PARTICLE The Trustees of The University of Pennsylvania (US) 2023-01-18 — — EP disclosed
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