SCHEMBL16351201

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

nearest known ligand 0.53

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	GRB2	P62993	1/20	0.47

▸	CAPN1	P07384	4/20	0.45

▸	NTSR2	O95665	6/20	0.44

▸	NTSR1	P30989	6/20	0.44

▸	SLC6A2	P23975	1/20	0.44

▸	SORT1	Q99523	2/20	0.43

▸	OPRD1	P41143	1/20	0.43

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
SCHEMBL16340699	0.96	GRB2 (0.49)	GRB2CAPN1NTSR2NTSR1SLC6A2
SCHEMBL12237948	0.91	CXCR4 (0.49)	GRB2CAPN1
SCHEMBL16351063	0.89	GRB2 (0.47)	GRB2CAPN1NTSR2NTSR1SLC6A2
SCHEMBL29629087	0.83	MAPK8 (0.46)	—
SCHEMBL24485881	0.83	MAPK8 (0.46)	—
SCHEMBL31542148	0.83	NTSR2 (0.52)	CAPN1NTSR2NTSR1SLC6A2SORT1
SCHEMBL31542147	0.82	NTSR2 (0.51)	CAPN1NTSR2NTSR1SLC6A2SORT1
SCHEMBL31018311	0.82	CXCR4 (0.47)	OPRD1
SCHEMBL31018315	0.81	NMUR2 (0.49)	CAPN1NTSR2NTSR1SORT1
SCHEMBL31018335	0.81	CXCR4 (0.48)	OPRD1

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