SCHEMBL13634094

CC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(C)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)CC

nearest known ligand 0.59

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	1/20	0.55

▸	BACE2	Q9Y5Z0	1/20	0.55

▸	F2	P00734	2/20	0.55

▸	KISS1R	Q969F8	6/20	0.53

▸	TFPI	P10646	1/20	0.52

▸	NTSR2	O95665	1/20	0.52

▸	NTSR1	P30989	1/20	0.52

▸	OPRD1	P41143	2/20	0.51

▸	OPRM1	P35372	1/20	0.51

▸	OPRK1	P41145	1/20	0.51

▸	NPY4R	P50391	6/20	0.51

▸	NPY1R	P25929	4/20	0.51

▸	NPY2R	P49146	4/20	0.51

▸	NPY5R	Q15761	4/20	0.51

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
SCHEMBL13634057	0.94	F2 (0.55)	BACE1BACE2F2KISS1RNTSR2
SCHEMBL13633986	0.93	NPY4R (0.58)	F2KISS1RNTSR2NTSR1NPY4R
SCHEMBL29611881	0.93	F2 (0.59)	BACE1BACE2F2TFPINTSR2
SCHEMBL13781468	0.92	KISS1R (0.56)	BACE1BACE2F2KISS1RNTSR2
SCHEMBL29611454	0.87	PTPN1 (0.60)	BACE1BACE2F2KISS1RNTSR2
SCHEMBL13633962	0.86	F2 (0.52)	F2KISS1RTFPINTSR2NTSR1
SCHEMBL29611822	0.86	F2 (0.61)	BACE1BACE2F2
SCHEMBL31369291	0.86	KISS1R (0.61)	BACE1BACE2KISS1RTFPI
SCHEMBL8893062	0.86	IL23R (0.57)	BACE1BACE2KISS1RTFPIOPRD1
SCHEMBL29611494	0.85	BACE1 (0.58)	BACE1BACE2F2TFPI

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-8304388-B2	Imaging agents	GE HEALTHCARE LIMITED (GB)	2012-11-06	—	—	US	disclosed
US-8304388-B2	Imaging agents	GE HEALTHCARE LIMITED (GB)	2012-11-06	—	—	US	disclosed