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SCHEMBL18569729

SCHEMBL18569729

C[C@@H](C(=O)NC(Cc1ccc(N(C)Cc2ccc(C(=O)O)cc2)cc1)C(=O)N1Cc2ccccc2CC1C(=O)NC1CCCc2ccccc21)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 20/20 0.54
▸ BIRC2 Q13490 13/20 0.48
▸ BIRC3 Q13489 11/20 0.48

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
SCHEMBL16991007 1.00 XIAP (0.54) XIAPBIRC2BIRC3
SCHEMBL16991008 1.00 XIAP (0.54) XIAPBIRC2BIRC3
SCHEMBL16991058 0.95 XIAP (0.55) XIAPBIRC2BIRC3
SCHEMBL16991056 0.95 XIAP (0.55) XIAPBIRC2BIRC3
SCHEMBL16990993 0.92 XIAP (0.62) XIAPBIRC2BIRC3
SCHEMBL16991068 0.92 XIAP (0.62) XIAPBIRC2BIRC3
SCHEMBL16990995 0.91 XIAP (0.62) XIAPBIRC2BIRC3
SCHEMBL16990972 0.91 XIAP (0.63) XIAPBIRC2BIRC3
SCHEMBL16990974 0.91 XIAP (0.63) XIAPBIRC2BIRC3
SCHEMBL16991004 0.91 XIAP (0.62) XIAPBIRC2BIRC3

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
EP-2882740-B1 IAP ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2017-03-01 — — EP disclosed