SCHEMBL31500760

SCHEMBL31500760

NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 1/20 0.51
▸ ACE P12821 2/20 0.49
▸ OPRM1 P35372 1/20 0.48
▸ DPP4 P27487 1/20 0.46
▸ DPP8 Q6V1X1 1/20 0.46
▸ TLR2 O60603 2/20 0.46
▸ MDM2 Q00987 5/20 0.45
▸ F2 P00734 2/20 0.44
▸ FDFT1 P37268 1/20 0.44
▸ STAT6 P42226 1/20 0.42
▸ MDM4 O15151 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CASP3 P42574 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
SCHEMBL29777663 0.90 PRCP (0.48) PRCPACEOPRM1DPP4DPP8
SCHEMBL29777648 0.88 ACE (0.49) PRCPACEOPRM1DPP4DPP8
SCHEMBL31297113 0.88 F2 (0.47) PRCPACEOPRM1TLR2MDM2
SCHEMBL29777562 0.85 PRCP (0.46) PRCPACEDPP4DPP8TLR2
SCHEMBL29750784 0.85 ACE (0.45) PRCPACEOPRM1TLR2MDM2
SCHEMBL29777638 0.85 ACE (0.47) PRCPACEOPRM1TLR2F2
SCHEMBL30057736 0.84 PRCP (0.49) PRCPACEMDM4TP53CASP3
SCHEMBL31467758 0.84 PRCP (0.46) PRCPACEOPRM1
SCHEMBL30165246 0.83 CMA1 (0.50) ACEOPRM1
SCHEMBL31297111 0.83 TLR2 (0.46) PRCPTLR2MDM2F2FDFT1

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-119591674-A Cyclohexapeptide and preparation method and application thereof 陕西未来多肽生物科技有限公司 2025-03-11 — — CN disclosed
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