SCHEMBL31564847

SCHEMBL31564847

NC(=O)CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 4/20 0.57
▸ OPRD1 P41143 4/20 0.57
▸ NMUR2 Q9GZQ4 4/20 0.49
▸ NMUR1 Q9HB89 4/20 0.49
▸ CALCRL Q16602 2/20 0.47
▸ BDKRB2 P30411 1/20 0.47
▸ F2 P00734 1/20 0.46

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
SCHEMBL31294857 0.86 ACE (0.52) OPRM1OPRD1CALCRL
SCHEMBL29485061 0.83 CALCRL (0.60) OPRM1OPRD1CALCRLBDKRB2
SCHEMBL31218214 0.82 OPRD1 (0.52) OPRM1OPRD1BDKRB2F2
SCHEMBL31612385 0.82 OPRM1 (0.61) OPRM1OPRD1BDKRB2
SCHEMBL31281428 0.82 OPRM1 (0.60) OPRM1OPRD1NMUR2NMUR1CALCRL
SCHEMBL31454710 0.82 OPRM1 (0.49) OPRM1OPRD1BDKRB2
SCHEMBL31241527 0.81 OPRM1 (0.64) OPRM1OPRD1NMUR2NMUR1BDKRB2
SCHEMBL30495669 0.81 OPRD1 (0.64) OPRM1OPRD1NMUR2NMUR1
SCHEMBL31694459 0.81 OPRM1 (0.61) OPRM1OPRD1NMUR2NMUR1BDKRB2
SCHEMBL29666775 0.81 ACE (0.54) OPRM1OPRD1

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-119930743-A ACE (angiotensin converting enzyme) inhibitory peptide, preparation method and application 美泰科技(青岛)股份有限公司 2025-05-06 — — CN disclosed
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