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SCHEMBL30974481

SCHEMBL30974481

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](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCCCN)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)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 1/20 0.61
▸ CALCR P30988 5/20 0.57
▸ MC4R P32245 1/20 0.56
▸ CXCR4 P61073 2/20 0.56
▸ KEAP1 Q14145 1/20 0.55
▸ F2 P00734 4/20 0.55
▸ NPY1R P25929 1/20 0.55
▸ NPY2R P49146 1/20 0.55
▸ NPY4R P50391 1/20 0.55
▸ NPY5R Q15761 1/20 0.55
▸ RAMP1 O60894 1/20 0.55
▸ RAMP2 O60895 1/20 0.55
▸ RAMP3 O60896 1/20 0.55
▸ CALCRL Q16602 1/20 0.55
▸ CTSL P07711 1/20 0.54
▸ CTSH P09668 1/20 0.54
▸ CTSS P25774 1/20 0.54
▸ CTSK P43235 1/20 0.54
▸ APLNR P35414 1/20 0.54

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
SCHEMBL30974573 0.97 C5AR1 (0.57) C5AR1CALCRMC4RCXCR4KEAP1
SCHEMBL30974189 0.96 F2 (0.56) C5AR1CALCRMC4RCXCR4KEAP1
SCHEMBL30974365 0.95 F2 (0.56) C5AR1CALCRCXCR4KEAP1F2
SCHEMBL30974459 0.94 C5AR1 (0.60) C5AR1CALCRKEAP1F2NPY1R
SCHEMBL30974458 0.93 C5AR1 (0.59) C5AR1CALCRKEAP1F2NPY1R
SCHEMBL30974387 0.93 C5AR1 (0.59) C5AR1CALCRKEAP1F2NPY1R
SCHEMBL30974242 0.93 CALCR (0.62) CALCRF2NPY1RNPY2RNPY4R
SCHEMBL30974554 0.93 C5AR1 (0.58) C5AR1CALCRKEAP1F2NPY1R
SCHEMBL31005061 0.92 CALCR (0.62) CALCRF2NPY1RNPY2RNPY4R
SCHEMBL31031522 0.92 CALCR (0.58) C5AR1CALCRF2NPY1RNPY2R

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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