SCHEMBL29777748

SCHEMBL29777748

C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 4/20 0.45
▸ F2 P00734 3/20 0.43
▸ PRCP P42785 1/20 0.42
▸ GRB2 P62993 1/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ NTMT1 Q9BV86 1/20 0.40
▸ STAT6 P42226 1/20 0.40
▸ NTSR2 O95665 1/20 0.39
▸ NTSR1 P30989 1/20 0.39
▸ TLR2 O60603 1/20 0.39
▸ REN P00797 1/20 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
SCHEMBL29777638 0.97 ACE (0.47) ACEF2PRCPOPRM1NTMT1
SCHEMBL29777663 0.91 PRCP (0.48) ACEF2PRCPOPRM1TLR2
SCHEMBL29777648 0.91 ACE (0.49) ACEF2PRCPOPRM1NTMT1
SCHEMBL29750784 0.88 ACE (0.45) ACEF2PRCPOPRM1NTMT1
SCHEMBL29566581 0.85 CTRB1 (0.46) ACEF2PRCP
SCHEMBL8902887 0.85 CTRB1 (0.46) F2
SCHEMBL31500760 0.83 PRCP (0.51) ACEF2PRCPOPRM1STAT6
SCHEMBL31501508 0.82 CTRB1 (0.46) F2
SCHEMBL29777655 0.82 CTRB1 (0.46) F2
SCHEMBL30317756 0.81 CTRB1 (0.49) F2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114989313-B P-tau181 epitope peptide and application thereof in Alzheimer disease detection 福建亿彤生物科技有限公司 2024-04-02 — — CN claimed
CN-114989313-B P-tau181 epitope peptide and application thereof in Alzheimer disease detection 福建亿彤生物科技有限公司 2024-04-02 — — CN disclosed
CN-114989313-A P-tau181 epitope peptide and application thereof in Alzheimer disease detection 亿彤科技发展(福建)有限公司 2022-09-02 — — CN disclosed
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