SCHEMBL31243863

SCHEMBL31243863

CC(C)[C@H](NC(=O)[C@@H](NC(=O)CN)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 1/20 0.49
▸ GNPAT O15228 1/20 0.48
▸ BACE1 P56817 8/20 0.48
▸ CDYL2 Q8N8U2 1/20 0.47
▸ CDYL Q9Y232 1/20 0.47
▸ SLC15A2 Q16348 1/20 0.46
▸ CTSD P07339 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ FURIN P09958 1/20 0.45

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
SCHEMBL31064821 0.89 BACE1 (0.51) BACE1CTSD
SCHEMBL31181203 0.88 GNPAT (0.57) GNPATSLC15A2FURIN
SCHEMBL30063959 0.88 CHRNA1 (0.52) GNPATSLC15A2
SCHEMBL30686822 0.86 BACE1 (0.55) HRH1BACE1CTSD
SCHEMBL31181224 0.86 GNPAT (0.53) GNPATSMN1; SMN2
SCHEMBL31243891 0.85 OPRD1 (0.54) BACE1
SCHEMBL31243868 0.85 OPRD1 (0.54) BACE1
SCHEMBL31243852 0.85 OPRD1 (0.54) BACE1
SCHEMBL29463322 0.85 GNPAT (0.53) GNPAT
SCHEMBL31202999 0.84 SLC15A2 (0.45) SLC15A2FURIN

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
CN-119072472-A FAP inhibitors 上海先通生物科技有限公司 2024-12-03 — — CN disclosed
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