SCHEMBL30574266

SCHEMBL30574266

C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ERBB2 P04626 1/20 0.56
▸ ERAP2 Q6P179 1/20 0.53
▸ GHSR Q92847 5/20 0.53
▸ CCKBR P32239 4/20 0.50
▸ CCKAR P32238 1/20 0.50
▸ OPRD1 P41143 1/20 0.50

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
SCHEMBL5710731 0.97 ERAP2 (0.56) ERBB2ERAP2GHSRCCKBRCCKAR
SCHEMBL29404414 0.97 ERBB2 (0.61) ERBB2ERAP2GHSR
SCHEMBL31375294 0.93 ERBB2 (0.55) ERBB2ERAP2GHSRCCKBRCCKAR
SCHEMBL7329450 0.91 ERBB2 (0.64) ERBB2ERAP2CCKBR
SCHEMBL7324578 0.91 ERBB2 (0.64) ERBB2ERAP2GHSRCCKBR
SCHEMBL8182752 0.91 ERBB2 (0.64) ERBB2ERAP2CCKBR
SCHEMBL30772214 0.90 ERAP2 (0.64) ERBB2ERAP2
SCHEMBL30945895 0.89 GHSR (0.64) ERAP2GHSR
SCHEMBL8182763 0.88 ERBB2 (0.67) ERBB2ERAP2GHSRCCKBR
SCHEMBL29354796 0.88 ERBB2 (0.54) ERBB2ERAP2GHSRCCKBR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109071616-B Streptavidin muteins and methods of use thereof IBA股份有限公司 2023-09-19 — — CN disclosed
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