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SCHEMBL30974109

SCHEMBL30974109

CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 7/20 0.58
▸ KISS1R Q969F8 4/20 0.52
▸ GLP1R P43220 4/20 0.51
▸ IL1RN P18510 6/20 0.51
▸ ERAP1 Q9NZ08 4/20 0.51
▸ NPBWR1 P48145 2/20 0.49
▸ GRPR P30550 1/20 0.48
▸ ECE1 P42892 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
SCHEMBL31031484 0.95 ERAP2 (0.52) ERAP2KISS1RGLP1RIL1RNERAP1
SCHEMBL29802507 0.94 ERAP2 (0.54) ERAP2KISS1RGLP1RERAP1GRPR
SCHEMBL31232511 0.92 ERAP2 (0.57) ERAP2KISS1RIL1RNERAP1NPBWR1
SCHEMBL29588041 0.91 ERAP2 (0.60) ERAP2IL1RNERAP1ECE1
SCHEMBL30561494 0.89 ERAP2 (0.56) ERAP2IL1RNERAP1GRPRECE1
SCHEMBL30988538 0.89 ERAP2 (0.56) ERAP2IL1RNERAP1GRPRECE1
SCHEMBL29519893 0.89 ERAP2 (0.58) ERAP2KISS1RIL1RNERAP1ECE1
SCHEMBL30500405 0.89 ECE1 (0.59) ERAP2IL1RNERAP1ECE1
SCHEMBL29426361 0.88 GHSR (0.60) ERAP2
SCHEMBL31022136 0.87 ERAP2 (0.56) ERAP2IL1RNERAP1ECE1

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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