SCHEMBL9608943

SCHEMBL9608943

CN[C@@H](C)C(=O)N[C@H]1CCC[C@H]2CC[C@@H](C(=O)N[C@@H]3CCCc4ccccc43)N2C1=O

nearest known ligand 0.96

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
XIAP P98170 19/20 0.96
BIRC3 Q13489 8/20 0.96
BIRC2 Q13490 8/20 0.96
BIRC8 Q96P09 1/20 0.66

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
SCHEMBL9611988 1.00 XIAP (0.96) XIAPBIRC3BIRC2BIRC8
SCHEMBL13260087 1.00 XIAP (0.96) XIAPBIRC3BIRC2BIRC8
SCHEMBL13260088 1.00 XIAP (0.96) XIAPBIRC3BIRC2BIRC8
SCHEMBL9611979 1.00 XIAP (0.96) XIAPBIRC3BIRC2BIRC8
SCHEMBL12108524 0.98 XIAP (1.00) XIAPBIRC3BIRC2BIRC8
SCHEMBL19198442 0.98 XIAP (1.00) XIAPBIRC3BIRC2BIRC8
SCHEMBL13419800 0.98 XIAP (1.00) XIAPBIRC3BIRC2BIRC8
SCHEMBL12105339 0.98 XIAP (1.00) XIAPBIRC3BIRC2BIRC8
SCHEMBL1300937 0.98 XIAP (1.00) XIAPBIRC3BIRC2BIRC8
SCHEMBL12464524 0.98 XIAP (1.00) XIAPBIRC3BIRC2BIRC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2457896-A1 Tripeptides as caspase modulators Idun Pharmaceuticals, Inc. (US) 2012-05-30 EP disclosed
EP-2457895-A1 Tetrapeptide analogs Idun Pharmaceuticals, Inc. (US) 2012-05-30 EP disclosed