SCHEMBL30974084

SCHEMBL30974084

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 4/20 0.43
▸ BDKRB2 P30411 1/20 0.43
▸ OPRM1 P35372 4/20 0.42
▸ OPRD1 P41143 4/20 0.42
▸ CTSL P07711 3/20 0.41
▸ CTSS P25774 3/20 0.41
▸ CTSK P43235 3/20 0.41
▸ CTSH P09668 1/20 0.41
▸ C5AR1 P21730 2/20 0.41
▸ MC4R P32245 1/20 0.40
▸ APLNR P35414 1/20 0.39

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
SCHEMBL30974083 0.94 OPRM1 (0.42) F2BDKRB2OPRM1OPRD1CTSL
SCHEMBL31031466 0.93 C5AR1 (0.46) F2BDKRB2OPRM1OPRD1CTSL
SCHEMBL11308630 0.86 ACE (0.45) CTSLCTSSCTSKCTSHMC4R
SCHEMBL29461651 0.86 OPRM1 (0.45) F2OPRM1OPRD1C5AR1APLNR
SCHEMBL30366772 0.86 MC4R (0.47) F2BDKRB2OPRM1OPRD1MC4R
SCHEMBL11203817 0.85 TRHR (0.46) —
SCHEMBL4956842 0.85 TRHR (0.46) —
SCHEMBL29630457 0.85 MC4R (0.42) F2CTSLCTSSCTSKCTSH
SCHEMBL11796337 0.84 CTSL (0.42) F2CTSLCTSSCTSKCTSH
SCHEMBL11794961 0.84 CTSL (0.38) F2CTSLCTSSCTSKCTSH

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
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
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 disclosed
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