SCHEMBL30713461

SCHEMBL30713461

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 13/20 0.61
CTSD P07339 1/20 0.53
MDM4 O15151 1/20 0.52
MDM2 Q00987 1/20 0.52
F2 P00734 2/20 0.51
BACE2 Q9Y5Z0 2/20 0.51
VIPR1 P32241 1/20 0.50
VIPR2 P41587 1/20 0.50

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
SCHEMBL29612206 0.95 BACE1 (0.54) BACE1MDM4MDM2F2BACE2
SCHEMBL30839323 0.91 NPY4R (0.59) BACE1F2
SCHEMBL30350355 0.90 BACE1 (0.61) BACE1CTSDVIPR1VIPR2
SCHEMBL30502848 0.89 BACE1 (0.58) BACE1VIPR1VIPR2
SCHEMBL29612075 0.89 NPY4R (0.60) F2
SCHEMBL31514343 0.89 F2 (0.56) BACE1CTSDMDM4MDM2F2
SCHEMBL30342388 0.88 F2 (0.52) BACE1CTSDF2VIPR1VIPR2
SCHEMBL30836857 0.88 BACE1 (0.55) BACE1CTSD
SCHEMBL31157662 0.88 ENPEP (0.52) BACE1MDM4MDM2
SCHEMBL30239836 0.88 BACE1 (0.58) BACE1CTSDBACE2VIPR1VIPR2

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-117447584-A Hirudin with anticoagulant, antithrombotic and anti-inflammatory activities and application thereof 滨州医学院 2024-01-26 CN claimed
CN-117447584-A Hirudin with anticoagulant, antithrombotic and anti-inflammatory activities and application thereof 滨州医学院 2024-01-26 CN disclosed