SCHEMBL30096878

SCHEMBL30096878

C[C@@H](OC(C)(C)C)[C@H](NC(=O)CNC(=O)[C@H](CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](Cc1cn(C(=O)OC(C)(C)C)cn1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 5/20 0.37
▸ OPRD1 P41143 6/20 0.35
▸ CCKAR P32238 5/20 0.35
▸ CCKBR P32239 5/20 0.35
▸ CTSS P25774 2/20 0.34
▸ CTSL P07711 1/20 0.34
▸ CTSB P07858 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ ACE P12821 1/20 0.34

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
SCHEMBL31088668 0.92 REN (0.36) RENOPRD1CCKARCCKBRCTSS
SCHEMBL29824489 0.91 OPRD1 (0.37) RENOPRD1CCKARCCKBR
SCHEMBL29554598 0.90 REN (0.37) RENOPRD1CCKARCCKBRCTSS
SCHEMBL31094168 0.89 REN (0.38) RENOPRD1CCKARCCKBRCTSS
SCHEMBL30437952 0.88 REN (0.40) RENOPRD1CCKARCCKBR
SCHEMBL30438040 0.87 GLP1R (0.38) RENOPRD1
SCHEMBL29555524 0.84 OPRD1 (0.41) RENOPRD1CCKARCCKBR
SCHEMBL31094172 0.84 NMBR (0.38) REN
SCHEMBL30647311 0.82 REN (0.32) RENOPRD1CCKARCCKBRCTSS
SCHEMBL30836804 0.82 REN (0.42) RENOPRD1CCKARCCKBR

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
EP-4289860-A1 USE OF POLYPEPTIDE COMPOUND IN PREVENTION OR TREATMENT OF INFLAMMATORY BOWEL DISEASE AND INTESTINAL FIBROSIS RELATED THERETO Shenzhen Turier Biotech Co., Ltd. (CN) 2023-12-13 — — EP disclosed
EP-4112637-A1 POLYPEPTIDE COMPOUND AND APPLICATION THEREOF IN PREVENTION OR TREATMENT OF DIABETES OR DIABETES COMPLICATION Shenzhen Turier Biotech Co., Ltd. (CN) 2023-01-04 — — EP disclosed
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