SCHEMBL13645144

BN(CCC(CCNC(=O)CNC[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)c(I)c1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(C)=O)C(C)C)[C@H](C)O)CCN(B)C(C)(C)/C(C)=N/O)C(C)(C)/C(C)=N/O

nearest known ligand 0.48

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	8/20	0.48

▸	NPY4R	P50391	8/20	0.48

▸	NPY5R	Q15761	8/20	0.48

▸	NPY1R	P25929	6/20	0.48

▸	TFPI	P10646	7/20	0.47

▸	KDM1A	O60341	2/20	0.46

▸	OPRM1	P35372	2/20	0.44

▸	OPRD1	P41143	2/20	0.44

▸	OPRK1	P41145	2/20	0.44

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
SCHEMBL30531780	0.87	TFPI (0.53)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL13487335	0.84	TFPI (0.54)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL19709273	0.74	KDM1A (0.60)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL19709276	0.74	KDM1A (0.61)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31745635	0.72	NPY2R (0.64)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL13634028	0.71	TFPI (0.53)	TFPI
SCHEMBL29352561	0.71	KEAP1 (0.64)	OPRM1OPRD1OPRK1
SCHEMBL29405698	0.71	TFPI (0.70)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31497351	0.70	KEAP1 (0.60)	TFPIKDM1A
SCHEMBL11650961	0.70	OPRD1 (0.60)	TFPIOPRM1OPRD1OPRK1

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
US-7597875-B2	Diaminedioxime radiometal complexes	GE HEALTHCARE LIMITED (GB)	2009-10-06	—	—	US	disclosed