SCHEMBL30974299

SCHEMBL30974299

N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 4/20 0.58
▸ OPRM1 P35372 2/20 0.57
▸ OPRD1 P41143 2/20 0.57
▸ ERAP2 Q6P179 1/20 0.57
▸ ECE1 P42892 4/20 0.56
▸ LTA4H P09960 1/20 0.56
▸ ALOX15 P16050 1/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ MPO P05164 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ BLM P54132 1/20 0.56
▸ PMP22 Q01453 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ HIF1A Q16665 1/20 0.56
▸ ITGB2 P05107 2/20 0.55
▸ ICAM1 P05362 2/20 0.55
▸ ITGAL P20701 2/20 0.55

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
SCHEMBL30052764 0.93 KDM4E (0.62) ACEOPRM1OPRD1ERAP2ECE1
SCHEMBL30605164 0.91 ACE (0.59) ACEOPRM1OPRD1ERAP2ECE1
SCHEMBL29366904 0.90 ERAP2 (0.60) ACEOPRM1OPRD1ERAP2ECE1
SCHEMBL30051470 0.90 ECE1 (0.66) ACEOPRM1OPRD1ERAP2ECE1
SCHEMBL30052858 0.90 OPRM1 (0.69) ACEOPRM1OPRD1ERAP2LTA4H
SCHEMBL30974288 0.90 CCKAR (0.57) ACEOPRM1OPRD1ERAP2ECE1
SCHEMBL7422711 0.89 ACE (0.68) ACEECE1LTA4HALOX15KDM4E
SCHEMBL14941216 0.89 ACE (0.68) ACEECE1LTA4HALOX15KDM4E
SCHEMBL29603940 0.89 ACE (0.68) ACEECE1LTA4HALOX15KDM4E
SCHEMBL29886823 0.88 ERAP2 (0.58) ACEOPRM1OPRD1ERAP2ECE1

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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