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SCHEMBL30553752

SCHEMBL30553752

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

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.53
▸ OPRD1 P41143 8/20 0.52
▸ OPRM1 P35372 4/20 0.52
▸ OPRL1 P41146 1/20 0.51
▸ OPRK1 P41145 2/20 0.51
▸ CCKAR P32238 3/20 0.50
▸ CCKBR P32239 3/20 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
SCHEMBL30109075 0.91 OPRD1 (0.52) TFPIOPRD1OPRM1OPRK1CCKAR
SCHEMBL31516071 0.90 TFPI (0.54) TFPIOPRD1OPRM1OPRK1
SCHEMBL31480032 0.89 OPRL1 (0.56) TFPIOPRD1OPRM1OPRL1OPRK1
SCHEMBL31598488 0.87 CCKBR (0.53) OPRD1OPRL1CCKARCCKBR
SCHEMBL31598482 0.87 CCKBR (0.53) OPRD1OPRL1CCKARCCKBR
SCHEMBL31256987 0.86 OPRD1 (0.61) OPRD1OPRM1OPRK1
SCHEMBL30435360 0.86 OPRK1 (0.54) OPRD1OPRM1OPRK1
SCHEMBL30930180 0.86 NMT1 (0.51) OPRD1OPRM1OPRK1
SCHEMBL30662329 0.85 TFPI (0.61) TFPIOPRD1OPRM1OPRL1OPRK1
SCHEMBL31480024 0.85 OPRL1 (0.63) TFPIOPRD1OPRM1OPRL1OPRK1

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-116284219-A Polypeptide LLLE derived from sturgeon cartilage and application thereof 江苏大学 2023-06-23 — — CN disclosed
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