SCHEMBL29871668

SCHEMBL29871668

CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCN)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 2/20 0.39
▸ SCTR P47872 1/20 0.39
▸ BACE1 P56817 11/20 0.38
▸ BACE2 Q9Y5Z0 2/20 0.38
▸ ERBB2 P04626 1/20 0.38
▸ CTSD P07339 2/20 0.37
▸ MAGI3 Q5TCQ9 1/20 0.37
▸ SLC15A2 Q16348 1/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ CASP7 P55210 1/20 0.37

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
SCHEMBL31265384 0.97 SLC15A2 (0.38) GLP1RSCTRBACE1BACE2ERBB2
SCHEMBL29557424 0.95 SLC15A2 (0.43) GLP1RSCTRSLC15A2
SCHEMBL31265393 0.93 SLC15A2 (0.45) GLP1RSCTRSLC15A2
SCHEMBL31265383 0.92 SLC15A2 (0.46) GLP1RSCTRSLC15A2
SCHEMBL31265386 0.92 SLC15A2 (0.45) GLP1RSCTRBACE1BACE2CTSD
SCHEMBL31265395 0.90 SLC15A2 (0.48) GLP1RSCTRSLC15A2
SCHEMBL31265388 0.89 SLC15A2 (0.44) SLC15A2
SCHEMBL29870996 0.89 SLC15A2 (0.44) SLC15A2
SCHEMBL31265398 0.89 SLC15A2 (0.48) SLC15A2
SCHEMBL21201578 0.88 BACE1 (0.37) BACE1BACE2CTSDCASP3CASP7

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-114945579-B Heme derivative and preparation method and application thereof 吉林省澳宇生物科技有限公司 2025-01-21 — — CN disclosed
CN-114945579-A Heme derivatives, their preparation and use 吉林省澳宇生物科技有限公司 2022-08-26 — — CN disclosed
Send feedback