SCHEMBL31127567

SCHEMBL31127567

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

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 1/20 0.48
▸ ACE P12821 3/20 0.46
▸ CAPN1 P07384 2/20 0.46
▸ NTSR1 P30989 7/20 0.45
▸ NTSR2 O95665 5/20 0.45
▸ TGM2 P21980 1/20 0.42
▸ OPRD1 P41143 1/20 0.42

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
SCHEMBL31127570 0.98 OPRK1 (0.49) OPRK1ACECAPN1NTSR1NTSR2
SCHEMBL31127563 0.87 OPRK1 (0.53) OPRK1ACECAPN1NTSR1NTSR2
SCHEMBL29611599 0.86 CAPN1 (0.48) OPRK1CAPN1NTSR1NTSR2OPRD1
SCHEMBL29611574 0.86 CAPN1 (0.50) CAPN1NTSR1NTSR2
SCHEMBL31316148 0.86 CAPN1 (0.44) ACECAPN1
SCHEMBL29409430 0.85 OPRK1 (0.55) OPRK1ACENTSR1NTSR2
SCHEMBL29612055 0.85 CAPN1 (0.50) OPRK1CAPN1NTSR1OPRD1
SCHEMBL29611741 0.85 CAPN1 (0.56) CAPN1NTSR1
SCHEMBL31679150 0.84 RAMP3 (0.47) OPRK1
SCHEMBL29429185 0.84 NTSR2 (0.49) OPRK1CAPN1NTSR1NTSR2

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-118420708-A Urechis unicinctus reconstruction peptide ACE (angiotensin converting enzyme) inhibitory peptide and application thereof in medicines for preventing or treating hypertension 北京石油化工学院 2024-08-02 — — CN disclosed
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