SCHEMBL16351239

CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)NCCCC[C@H](C=O)NC(=O)[C@H](CCCC)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)[C@@H](C)O

nearest known ligand 0.48

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	APLNR	P35414	3/20	0.48

▸	GRB2	P62993	1/20	0.42

▸	CAPN1	P07384	4/20	0.40

▸	NTSR2	O95665	1/20	0.40

▸	NTSR1	P30989	1/20	0.40

▸	OPRM1	P35372	2/20	0.38

▸	OPRK1	P41145	2/20	0.38

▸	SIRT6	Q8N6T7	1/20	0.38

▸	SIRT1	Q96EB6	1/20	0.38

▸	ACE	P12821	1/20	0.37

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
SCHEMBL16351033	1.00	APLNR (0.48)	APLNRGRB2CAPN1NTSR2NTSR1
SCHEMBL16330330	1.00	APLNR (0.48)	APLNRGRB2CAPN1NTSR2NTSR1
SCHEMBL16351238	0.92	F2 (0.42)	APLNRGRB2CAPN1NTSR2NTSR1
SCHEMBL16350326	0.86	OPRM1 (0.43)	APLNRGRB2CAPN1OPRM1OPRK1
SCHEMBL12237919	0.80	GRB2 (0.50)	GRB2CAPN1NTSR2NTSR1OPRM1
SCHEMBL12899266	0.80	GRB2 (0.50)	GRB2CAPN1NTSR2NTSR1OPRM1
SCHEMBL12237990	0.80	OPRM1 (0.47)	APLNRGRB2CAPN1OPRM1OPRK1
SCHEMBL13084631	0.80	GRB2 (0.50)	GRB2CAPN1NTSR2NTSR1OPRM1
SCHEMBL16338735	0.80	OPRM1 (0.47)	APLNRGRB2CAPN1OPRM1OPRK1
SCHEMBL14227389	0.80	GRB2 (0.50)	GRB2CAPN1NTSR2NTSR1OPRM1

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-8263739-B2	also targeting tumor cells that express vascular endothelial growth factor neuropilin-1 receptor; radiotherapy; radiopharmaceuticals; treating angiogenesis	BRACCO SUISSE SA (CH)	2012-09-11	—	—	US	disclosed