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Sugi Predict / Compounds / SCHEMBL30958099

SCHEMBL30958099

SCHEMBL30958099

CC(C)C[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 12/20 0.47
▸ MC4R P32245 1/20 0.46
▸ OPRK1 P41145 1/20 0.45
▸ CXCR4 P61073 1/20 0.44
▸ C5AR1 P21730 2/20 0.43
▸ ACE P12821 1/20 0.41

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
SCHEMBL30958085 0.92 ACE (0.44) APLNRMC4ROPRK1C5AR1ACE
SCHEMBL30958093 0.86 APLNR (0.59) APLNRMC4ROPRK1CXCR4C5AR1
SCHEMBL29555036 0.84 ACE (0.41) APLNRMC4ROPRK1ACE
SCHEMBL30958077 0.82 APLNR (0.62) APLNR
SCHEMBL30958042 0.82 APLNR (0.66) APLNR
SCHEMBL31529690 0.82 APLNR (0.60) APLNRMC4RCXCR4C5AR1
SCHEMBL29530972 0.81 C5AR1 (0.45) MC4ROPRK1CXCR4C5AR1ACE
SCHEMBL30356636 0.80 APLNR (0.40) APLNRC5AR1ACE
SCHEMBL29925778 0.80 ACE (0.43) MC4ROPRK1ACE
SCHEMBL29802052 0.80 ACE (0.48) MC4ROPRK1C5AR1ACE

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-3649146-B1 APELIN PEPTIDES AND USES THEREOF UNIV ALBERTA (CA) 2024-06-26 — — EP disclosed
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