SCHEMBL30974240

SCHEMBL30974240

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 5/20 0.58
▸ CALCR P30988 4/20 0.55
▸ OPRM1 P35372 4/20 0.53
▸ OPRD1 P41143 4/20 0.53
▸ CRHR1 P34998 1/20 0.51
▸ CRHR2 Q13324 1/20 0.51
▸ HCRTR1 O43613 1/20 0.50
▸ HCRTR2 O43614 1/20 0.50
▸ C5AR1 P21730 1/20 0.50
▸ AGTR1 P30556 1/20 0.49
▸ AGTR2 P50052 1/20 0.49
▸ CTSL P07711 1/20 0.49
▸ CTSH P09668 1/20 0.49
▸ CTSS P25774 1/20 0.49
▸ CTSK P43235 1/20 0.49
▸ REN P00797 1/20 0.48

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
SCHEMBL30974376 0.99 F2 (0.58) F2CALCROPRM1OPRD1CRHR1
SCHEMBL31031522 0.95 CALCR (0.58) F2CALCROPRM1OPRD1CRHR1
SCHEMBL30974458 0.93 C5AR1 (0.59) F2CALCRC5AR1CTSLCTSH
SCHEMBL30974387 0.93 C5AR1 (0.59) F2CALCRC5AR1CTSLCTSH
SCHEMBL30974459 0.91 C5AR1 (0.60) F2CALCRC5AR1CTSLCTSH
SCHEMBL30974554 0.91 C5AR1 (0.58) F2CALCRC5AR1CTSLCTSH
SCHEMBL30974286 0.90 F2 (0.57) F2CALCRC5AR1CTSLCTSH
SCHEMBL30974573 0.89 C5AR1 (0.57) F2CALCRC5AR1CTSLCTSH
SCHEMBL30974189 0.88 F2 (0.56) F2CALCRC5AR1CTSLCTSH
SCHEMBL31607154 0.87 AGTR2 (0.54) F2CALCROPRD1AGTR1AGTR2

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 disclosed
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