SCHEMBL13340502

SCHEMBL13340502

O=C1N[C@@]2(C(=O)N[S+]([O-])C3CC3)C[C@@H]2/C=C\CCCCC[C@H](CC(=O)N2CCCCC2)C(=O)N2CCC[C@@H]12

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ FAP Q12884 2/20 0.32

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
SCHEMBL16938907 0.88 FAP (0.32) FAP
SCHEMBL16938890 0.88 FAP (0.32) FAP
SCHEMBL16938974 0.86 FAP (0.34) FAP
SCHEMBL8237929 0.85 DPP4 (0.34) —
SCHEMBL13340505 0.85 FAP (0.33) FAP
SCHEMBL16938889 0.85 CTSB (0.40) FAP
SCHEMBL12819722 0.83 XIAP (0.33) —
SCHEMBL16938902 0.82 HDAC4 (0.32) FAP
SCHEMBL12820551 0.81 ADRB3 (0.31) —
SCHEMBL12820561 0.81 ADRB3 (0.31) —

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-2010068761-A2 4-AMINO-4-OXOBUTANOYL PEPTIDE CYCLIC ANALOGUES, INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2010-06-17 — — WO disclosed
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