SCHEMBL29898314

SCHEMBL29898314

CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 4/20 0.44
▸ CALCRL Q16602 4/20 0.44
▸ ACE P12821 2/20 0.41
▸ REN P00797 1/20 0.41
▸ CTSB P07858 1/20 0.40
▸ AGTR1 P30556 2/20 0.39
▸ AGTR2 P50052 2/20 0.39
▸ CTSD P07339 1/20 0.38
▸ BACE1 P56817 1/20 0.38
▸ F2 P00734 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ RAMP3 O60896 1/20 0.37
▸ CALCR P30988 1/20 0.37

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
SCHEMBL29805727 0.97 CALCRL (0.46) CAPN1CALCRLACERENCTSD
SCHEMBL30362861 0.88 CALCRL (0.40) CAPN1CALCRLSLC6A2KMT2AL3MBTL1
SCHEMBL29362259 0.85 NPY2R (0.47) F2RAMP3CALCR
SCHEMBL29805251 0.85 NPY2R (0.47) F2RAMP3CALCR
SCHEMBL29590352 0.82 BACE1 (0.46) CALCRLACERENCTSDBACE1
SCHEMBL30658578 0.81 CALCRL (0.49) CALCRLACERENCTSDBACE1
SCHEMBL29765215 0.80 ACE (0.52) CAPN1ACERENCTSBF2
SCHEMBL29765157 0.80 ACE (0.52) CAPN1ACERENCTSBF2
SCHEMBL30957276 0.80 ACE (0.60) ACERENF2SLC6A2
SCHEMBL31696336 0.79 XIAP (0.47) F2

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
EP-3463281-B1 BETA-HAIRPIN PEPTIDOMIMETIC WITH ELASTASE INHIBITORY ACTIVITY AND AEROSOL DOSAGE FORMS THEREOF POLYPHOR AG (CH) 2022-07-06 — — EP disclosed
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