SCHEMBL12314858

CC(O)C(CC(=O)CNC(=O)COCOCC(=O)NCC(=O)CC(C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCCC(=N)N)C(=O)O)C(C)O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCCC(=N)N)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	GRB2	P62993	1/20	0.42

▸	APLNR	P35414	2/20	0.41

▸	F2	P00734	1/20	0.40

▸	NTSR2	O95665	2/20	0.39

▸	NTSR1	P30989	2/20	0.39

▸	CAPN1	P07384	4/20	0.38

▸	BDKRB2	P30411	1/20	0.37

▸	RAMP3	O60896	5/20	0.36

▸	CALCR	P30988	5/20	0.36

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
SCHEMBL12314880	0.83	RAMP3 (0.47)	GRB2RAMP3CALCR
SCHEMBL13084700	0.83	RAMP3 (0.47)	GRB2RAMP3CALCR
SCHEMBL12314876	0.83	RAMP3 (0.47)	GRB2RAMP3CALCR
SCHEMBL13084645	0.83	RAMP3 (0.47)	GRB2RAMP3CALCR
SCHEMBL16330316	0.77	RAMP3 (0.45)	GRB2RAMP3CALCR
SCHEMBL12339085	0.77	RAMP3 (0.46)	GRB2CAPN1RAMP3CALCR
SCHEMBL16351204	0.77	RAMP3 (0.46)	GRB2CAPN1RAMP3CALCR
SCHEMBL12899266	0.75	GRB2 (0.50)	GRB2F2NTSR2NTSR1CAPN1
SCHEMBL12237919	0.75	GRB2 (0.50)	GRB2F2NTSR2NTSR1CAPN1
SCHEMBL13084631	0.75	GRB2 (0.50)	GRB2F2NTSR2NTSR1CAPN1

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