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SCHEMBL30974512

SCHEMBL30974512

C[C@@H](O)[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.41
▸ OPRL1 P41146 8/20 0.41
▸ OPRM1 P35372 1/20 0.40
▸ OPRD1 P41143 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ QRFPR Q96P65 1/20 0.40
▸ RAMP3 O60896 3/20 0.39
▸ CALCR P30988 3/20 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
SCHEMBL29736322 0.92 TFPI (0.48) TFPIOPRL1RAMP3CALCR
SCHEMBL30974356 0.90 PDCD1LG2 (0.46) OPRL1OPRM1OPRD1OPRK1
SCHEMBL30577044 0.90 NMT2 (0.41) OPRL1QRFPR
SCHEMBL29736417 0.89 TFPI (0.49) TFPIOPRL1RAMP3CALCR
SCHEMBL30974217 0.88 PDCD1LG2 (0.45) OPRL1OPRM1OPRD1OPRK1
SCHEMBL31462128 0.87 OPRL1 (0.43) TFPIOPRL1RAMP3CALCR
SCHEMBL30974113 0.85 PDCD1LG2 (0.42) OPRL1OPRM1OPRD1OPRK1
SCHEMBL29736056 0.84 TFPI (0.46) TFPIOPRL1RAMP3CALCR
SCHEMBL29630536 0.84 QRFPR (0.42) TFPIQRFPR
SCHEMBL29851173 0.84 SLC15A2 (0.41) —

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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