SCHEMBL24580400

SCHEMBL24580400

CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 1/20 0.52
▸ ACE P12821 7/20 0.51
▸ ACE2 Q9BYF1 2/20 0.51
▸ LMNA P02545 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ TLR2 O60603 2/20 0.45
▸ MDM4 O15151 1/20 0.44
▸ TP53 P04637 1/20 0.44

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
SCHEMBL29583278 0.89 ACE (0.51) PRCPACEACE2LMNA
SCHEMBL30057736 0.89 PRCP (0.49) PRCPACEACE2LMNAMDM4
SCHEMBL29613906 0.88 ACE (0.58) ACEACE2
SCHEMBL29696658 0.88 ACE (0.58) ACEACE2
SCHEMBL29697676 0.88 ACE (0.58) ACEACE2
SCHEMBL24579222 0.88 ACE (0.58) ACEACE2
SCHEMBL30134434 0.87 ACE (0.50) PRCPACEACE2LMNATLR2
SCHEMBL31217850 0.87 ACE (0.52) PRCPACEACE2LMNASMN1; SMN2
SCHEMBL21467260 0.87 ACE (0.52) PRCPACEACE2LMNASMN1; SMN2
SCHEMBL17015151 0.87 ACE (0.52) PRCPACEACE2LMNASMN1; SMN2

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-2022138891-A1 METHOD FOR PRODUCING PEPTIDE COMPOUND CONTAINING N-SUBSTITUTED-AMINO ACID RESIDUE 中外製薬株式会社 2022-06-30 — — WO disclosed
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