SCHEMBL25472337

SCHEMBL25472337

CNC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H]1CCOc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 13/20 0.52
▸ TRPV1 Q8NER1 5/20 0.47
▸ BIRC3 Q13489 7/20 0.45
▸ BIRC2 Q13490 6/20 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
SCHEMBL25472338 0.84 XIAP (0.53) XIAPBIRC3BIRC2
SCHEMBL21376365 0.81 XIAP (0.53) XIAPTRPV1BIRC3BIRC2
SCHEMBL14277888 0.74 TRPV1 (0.49) XIAPTRPV1
SCHEMBL803487 0.74 TRPV1 (0.49) XIAPTRPV1
SCHEMBL14452760 0.74 TRPV1 (0.49) XIAPTRPV1
SCHEMBL599782 0.74 TRPV1 (0.49) XIAPTRPV1
SCHEMBL4226632 0.74 TRPV1 (0.54) XIAPTRPV1
SCHEMBL4226634 0.74 TRPV1 (0.54) XIAPTRPV1
SCHEMBL26962614 0.72 TRPV1 (0.50) XIAPTRPV1
SCHEMBL27125516 0.72 TRPV1 (0.50) XIAPTRPV1

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-2023081290-A1 INHIBITOR OF APOPTOSIS (IAP) PROTEIN ANTAGONISTS Sanford Burnham Prebys Medical Discovery Institute (US) 2023-05-11 — — WO disclosed
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