SCHEMBL31500752

SCHEMBL31500752

C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)[C@@H](C)O

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 5/20 0.45
PREP P48147 2/20 0.45
ELANE P08246 6/20 0.43
PIN1 Q13526 1/20 0.42
PRCP P42785 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
SCHEMBL8921637 0.91 ELANE (0.51) CMA1PREPELANE
SCHEMBL8922399 0.91 ELANE (0.51) CMA1PREPELANE
SCHEMBL31500753 0.89 CTRB1 (0.47) ELANE
SCHEMBL17015151 0.87 ACE (0.52) PREPPIN1PRCP
SCHEMBL31217850 0.87 ACE (0.52) PREPPIN1PRCP
SCHEMBL29759519 0.87 ACE (0.52) PREPPIN1PRCP
SCHEMBL21467260 0.87 ACE (0.52) PREPPIN1PRCP
SCHEMBL13296586 0.86 PREP (0.50) PREPPIN1PRCP
SCHEMBL13483341 0.86 PREP (0.50) PREPPIN1PRCP
SCHEMBL8611807 0.84 ACE (0.49) PREPELANEPIN1PRCP

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 2 patents. 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 claimed
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