SCHEMBL29492564

SCHEMBL29492564

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

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 1/20 0.55
▸ CTSL P07711 2/20 0.53
▸ CTSS P25774 2/20 0.53
▸ CTSK P43235 2/20 0.53
▸ CTSB P07858 1/20 0.53
▸ NPY4R P50391 11/20 0.48
▸ NPY1R P25929 7/20 0.47
▸ NPY5R Q15761 6/20 0.46
▸ NPY2R P49146 3/20 0.46
▸ REN P00797 2/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ KMT2A Q03164 1/20 0.45

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
SCHEMBL29492566 1.00 CAPN1 (0.55) CAPN1CTSLCTSSCTSKCTSB
SCHEMBL29734569 0.92 CTSK (0.50) CAPN1CTSLCTSSCTSKCTSB
SCHEMBL23728734 0.92 CTSK (0.50) CAPN1CTSLCTSSCTSKCTSB
SCHEMBL23728735 0.92 CTSK (0.50) CAPN1CTSLCTSSCTSKCTSB
SCHEMBL25696029 0.92 CTSK (0.50) CAPN1CTSLCTSSCTSKCTSB
SCHEMBL21323138 0.91 CAPN1 (0.57) CAPN1CTSLCTSSCTSKCTSB
SCHEMBL7106632 0.91 CAPN1 (0.56) CAPN1CTSLCTSSCTSKCTSB
SCHEMBL30141950 0.90 CAPN1 (0.46) CAPN1CTSLCTSSCTSKCTSB
SCHEMBL1486276 0.90 MEN1 (0.55) CAPN1CTSLCTSSCTSKCTSB
SCHEMBL2367531 0.90 MEN1 (0.55) CAPN1CTSLCTSSCTSKCTSB

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
CN-110105428-B Leu-Arg-Ala-Pro-Leu-Tyr-Val heptapeptide, synthesis, activity and application thereof 首都医科大学 2022-08-05 — — CN disclosed
CN-109438363-B Liquid-phase high-purity large-scale synthesis method of cyclic (leucyl-arginyl) dipeptide salt 陕西慧康生物科技有限责任公司 2022-04-29 — — CN disclosed
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