SCHEMBL30974182

SCHEMBL30974182

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)O)C(C)C)C(C)C

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NTSR2 O95665 5/20 0.70
▸ NTSR1 P30989 5/20 0.70
▸ SORT1 Q99523 5/20 0.70
▸ CAPN1 P07384 2/20 0.57
▸ CTSB P07858 2/20 0.57
▸ DPP3 Q9NY33 5/20 0.56
▸ TACR1 P25103 1/20 0.53
▸ CXCR4 P61073 3/20 0.51
▸ F13A1 P00488 1/20 0.51
▸ TGM2 P21980 1/20 0.51
▸ C5AR1 P21730 1/20 0.51
▸ KISS1R Q969F8 2/20 0.51

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
SCHEMBL30518080 0.93 NTSR2 (0.65) NTSR2NTSR1SORT1CAPN1CTSB
SCHEMBL29913297 0.91 NTSR2 (0.65) NTSR2NTSR1SORT1CAPN1CTSB
SCHEMBL30518127 0.89 NTSR2 (0.69) NTSR2NTSR1SORT1DPP3TACR1
SCHEMBL31105542 0.88 NTSR2 (0.64) NTSR2NTSR1SORT1CAPN1CTSB
SCHEMBL30216754 0.88 NTSR2 (0.62) NTSR2NTSR1SORT1CAPN1CTSB
SCHEMBL30605444 0.88 NTSR2 (0.61) NTSR2NTSR1SORT1CAPN1CTSB
SCHEMBL30974309 0.88 OPRD1 (0.62) NTSR2NTSR1SORT1C5AR1KISS1R
SCHEMBL30436566 0.88 NTSR2 (0.60) NTSR2NTSR1SORT1CAPN1CTSB
SCHEMBL31507728 0.87 NTSR2 (0.68) NTSR2NTSR1SORT1CAPN1CTSB
SCHEMBL29716634 0.86 NTSR2 (0.75) NTSR2NTSR1SORT1DPP3TACR1

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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