SCHEMBL30079002

SCHEMBL30079002

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)CN)C(C)C)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 5/20 0.47
▸ CAPN1 P07384 2/20 0.42
▸ NTSR1 P30989 2/20 0.42
▸ NTSR2 O95665 1/20 0.42
▸ RAMP1 O60894 1/20 0.42
▸ CTSD P07339 3/20 0.42
▸ BACE1 P56817 3/20 0.42
▸ REN P00797 3/20 0.41
▸ CTSE P14091 1/20 0.41
▸ EPHA2 P29317 2/20 0.41
▸ AGTR1 P30556 2/20 0.40

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
SCHEMBL31410849 0.87 CAPN1 (0.45) CAPN1NTSR1NTSR2CTSDREN
SCHEMBL30009448 0.86 BACE1 (0.50) CALCRLRAMP1CTSDBACE1CTSE
SCHEMBL29660884 0.82 CAPN1 (0.47) CAPN1NTSR1NTSR2REN
SCHEMBL31140791 0.82 CALCRL (0.46) CALCRLRAMP1CTSDBACE1REN
SCHEMBL29726644 0.82 CALCRL (0.46) CALCRLRAMP1CTSDBACE1REN
SCHEMBL29521253 0.81 CALCRL (0.49) CALCRLCAPN1NTSR1NTSR2RAMP1
SCHEMBL29802191 0.81 CAPN1 (0.47) CALCRLCAPN1NTSR1NTSR2REN
SCHEMBL29567142 0.80 ELANE (0.42) CAPN1NTSR1NTSR2
SCHEMBL30401355 0.80 CALCRL (0.52) CALCRLCAPN1NTSR1NTSR2RAMP1
SCHEMBL29679612 0.80 CAPN1 (0.46) CALCRLCAPN1RAMP1REN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115353553-B CCK secretion-promoting peptide targeting calcium sensitive receptor and preparation method and application thereof 上海理工大学 2023-06-02 — — CN claimed
CN-115353553-A CCK secretion promoting peptide targeting calcium sensitive receptor and preparation method and application thereof 上海理工大学 2022-11-18 — — CN claimed
CN-115353553-B CCK secretion-promoting peptide targeting calcium sensitive receptor and preparation method and application thereof 上海理工大学 2023-06-02 — — CN disclosed
CN-115353553-B CCK secretion-promoting peptide targeting calcium sensitive receptor and preparation method and application thereof 上海理工大学 2023-06-02 — — CN disclosed
CN-115353553-A CCK secretion promoting peptide targeting calcium sensitive receptor and preparation method and application thereof 上海理工大学 2022-11-18 — — CN disclosed
CN-115353553-A CCK secretion promoting peptide targeting calcium sensitive receptor and preparation method and application thereof 上海理工大学 2022-11-18 — — CN disclosed
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