SCHEMBL30973952

SCHEMBL30973952

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

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 6/20 0.53
▸ SLC6A2 P23975 1/20 0.46
▸ AGTR1 P30556 1/20 0.45
▸ AGTR2 P50052 1/20 0.45
▸ REN P00797 2/20 0.44
▸ RAMP1 O60894 1/20 0.44
▸ CMA1 P23946 2/20 0.43
▸ F2 P00734 3/20 0.42
▸ EPHA2 P29317 2/20 0.42
▸ PRMT5 O14744 1/20 0.42
▸ WDR77 Q9BQA1 1/20 0.42
▸ ANPEP P15144 1/20 0.41
▸ LNPEP Q9UIQ6 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
SCHEMBL30974615 0.90 CALCRL (0.46) CALCRLSLC6A2RENRAMP1CMA1
SCHEMBL30974360 0.89 CALCRL (0.46) CALCRLRENCMA1PRMT5WDR77
SCHEMBL30819478 0.89 CALCRL (0.46) CALCRLSLC6A2AGTR1AGTR2REN
SCHEMBL30123069 0.86 CALCRL (0.52) CALCRLF2
SCHEMBL29973360 0.84 F2 (0.47) SLC6A2AGTR1AGTR2RENF2
SCHEMBL31465300 0.83 F2 (0.52) RENF2
SCHEMBL31152909 0.83 C5AR1 (0.50) CALCRLSLC6A2AGTR1AGTR2REN
SCHEMBL30399541 0.83 REN (0.48) SLC6A2REN
SCHEMBL29592537 0.82 SLC6A2 (0.47) SLC6A2REN
SCHEMBL31318919 0.82 CALCRL (0.46) CALCRLRENRAMP1F2

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
WO-2024132726-A1 SERUM PEPTIDE PATTERNS FOR DIAGNOSTICS OF ACUTE ISCHEMIC STROKE IN HUMANS AND DIFFERENTIAL DIAGNOSIS OF ACUTE ISCHEMIC STROKE FROM INTRACRANIAL HEMORRHAGIC STROKE UNIWERSYTET GDANSKI (PL) 2024-06-27 — — WO claimed
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