SCHEMBL30407242

SCHEMBL30407242

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

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 4/20 0.49
▸ F2R P25116 2/20 0.45
▸ CTSD P07339 2/20 0.42
▸ CTSE P14091 1/20 0.42
▸ CTSB P07858 1/20 0.42
▸ OPRK1 P41145 4/20 0.41
▸ REN P00797 2/20 0.41
▸ ACE P12821 1/20 0.41
▸ CALCRL Q16602 1/20 0.40
▸ BACE1 P56817 1/20 0.40
▸ XIAP P98170 1/20 0.40
▸ MLX Q9UH92 1/20 0.40

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
SCHEMBL30165163 0.90 CAPN1 (0.51) CAPN1F2RCTSDCTSECTSB
SCHEMBL31741315 0.87 CAPN1 (0.53) CAPN1F2RCTSBOPRK1REN
SCHEMBL16468657 0.86 ACE (0.50) RENACECALCRL
SCHEMBL29421107 0.85 ACE (0.45) CAPN1OPRK1RENACE
SCHEMBL30060350 0.85 CAPN1 (0.49) CAPN1CTSBOPRK1RENACE
SCHEMBL30051863 0.85 ACE (0.49) RENACE
SCHEMBL30596290 0.85 CALCRL (0.51) CAPN1CTSDCTSEOPRK1REN
SCHEMBL30988889 0.85 CALCRL (0.49) CAPN1F2RCTSDCTSECTSB
SCHEMBL31693563 0.84 CAPN1 (0.49) CAPN1F2RCTSBRENACE
SCHEMBL31568001 0.84 CAPN1 (0.51) CAPN1CTSBOPRK1RENCALCRL

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-115746104-A Preparation method of Bulevirtide 深圳市健翔生物制药有限公司 2023-03-07 — — CN disclosed
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