SCHEMBL18435537

CNCC(=O)NC(C(=O)N1Cc2cc([C@H]3C[C@@H](C=O)N(C(=O)[C@@H](NC(=O)CN(C)C(=O)OC(C)(C)C)C(C)(C)C)C3)ccc2C[C@H]1C)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	BIRC2	Q13490	11/20	0.39

▸	XIAP	P98170	5/20	0.33

▸	BIRC3	Q13489	4/20	0.33

▸	ESR1	P03372	1/20	0.33

▸	ELANE	P08246	1/20	0.31

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.

Compound	similarity	top predicted	shared targets
SCHEMBL19289877	1.00	BIRC2 (0.39)	BIRC2XIAPBIRC3ESR1ELANE
SCHEMBL19289857	0.85	BIRC2 (0.42)	BIRC2XIAPBIRC3ELANE
SCHEMBL19289856	0.84	BIRC2 (0.43)	BIRC2XIAPBIRC3ELANE
SCHEMBL19290140	0.83	BIRC2 (0.42)	BIRC2XIAPBIRC3ELANE
SCHEMBL18635949	0.78	OPRM1 (0.41)	BIRC2XIAPBIRC3ELANE
SCHEMBL18435428	0.75	BIRC2 (0.42)	BIRC2XIAPBIRC3ELANE
SCHEMBL18435503	0.74	BIRC2 (0.41)	BIRC2XIAPBIRC3ELANE
SCHEMBL18435178	0.73	NR1H2 (0.38)	BIRC2XIAPBIRC3ESR1
SCHEMBL18435396	0.73	BIRC2 (0.40)	BIRC2XIAPBIRC3ESR1
SCHEMBL18435320	0.73	BIRC2 (0.72)	BIRC2XIAPBIRC3

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-2861581-B1	1,2,3,4-Tetrahydroisoquinoline-pyrrolidine derivatives as antagonists of apoptosis (IAPs) for the treatment of cancer.	BRISTOL MYERS SQUIBB CO (US)	2017-02-01	—	—	EP	disclosed