SCHEMBL30109075

SCHEMBL30109075

CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 9/20 0.52
▸ OPRK1 P41145 5/20 0.52
▸ OPRM1 P35372 5/20 0.52
▸ BCL2L1 Q07817 1/20 0.51
▸ BACE1 P56817 1/20 0.50
▸ TFPI P10646 1/20 0.49
▸ CCKAR P32238 3/20 0.49
▸ CCKBR P32239 3/20 0.49

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
SCHEMBL30974321 0.92 BACE1 (0.59) BACE1TFPI
SCHEMBL30553752 0.91 TFPI (0.53) OPRD1OPRK1OPRM1TFPICCKAR
SCHEMBL30435360 0.89 OPRK1 (0.54) OPRD1OPRK1OPRM1BACE1
SCHEMBL29590452 0.88 OPRM1 (0.55) OPRD1OPRK1OPRM1TFPI
SCHEMBL31433318 0.87 OPRD1 (0.58) OPRD1OPRK1OPRM1
SCHEMBL29569118 0.86 OPRK1 (0.54) OPRD1OPRK1OPRM1BACE1
SCHEMBL10427979 0.86 OPRD1 (0.49) OPRD1OPRK1OPRM1CCKARCCKBR
SCHEMBL30153107 0.85 OPRD1 (0.63) OPRD1OPRK1OPRM1
SCHEMBL31556143 0.85 BACE1 (0.58) BACE1
SCHEMBL31510900 0.85 TFPI (0.58) BCL2L1TFPI

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-115554234-A Preparation method of pH response type polypeptide gelatin hybrid hydrogel 湖南理工学院 2023-01-03 — — CN disclosed
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