SCHEMBL12082722

C/C(=N/O)C(C)(C)NCCN(CCNC(=O)CCC(=O)N[C@@H](C)C(=O)C[C@H]1CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)CCC(=O)N[C@@H](CC(=O)O)C(=O)C[C@H]2CSSC[C@@H](C(=O)NCC(=O)O)CC(=O)[C@H](Cc3ccccc3)NC2=O)CC(=O)[C@H](CC(=O)O)NC1=O)CCNC(C)(C)/C(C)=N\O

nearest known ligand 0.33

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	AVPR2	P30518	2/20	0.33

▸	OXTR	P30559	2/20	0.33

▸	AVPR1A	P37288	2/20	0.33

▸	AVPR1B	P47901	2/20	0.33

▸	ALB	P02768	1/20	0.32

▸	KRAS	P01116	5/20	0.32

▸	KLKB1	P03952	1/20	0.31

▸	KEAP1	Q14145	1/20	0.30

▸	NFE2L2	Q16236	1/20	0.30

▸	EPHA2	P29317	1/20	0.30

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
SCHEMBL12082709	0.80	AVPR2 (0.34)	AVPR2OXTRAVPR1AAVPR1BALB
SCHEMBL12085211	0.79	ALB (0.44)	AVPR2OXTRAVPR1AAVPR1BALB
SCHEMBL12082807	0.76	—	—
SCHEMBL13287918	0.74	ALB (0.47)	ALBKLKB1EPHA2
SCHEMBL13287950	0.73	ALB (0.46)	ALBKLKB1EPHA2
SCHEMBL11926078	0.72	OXTR (0.38)	OXTRAVPR1AAVPR1B
SCHEMBL13287937	0.70	ALB (0.44)	ALB
SCHEMBL11926081	0.68	NPY4R (0.40)	—
SCHEMBL16351098	0.68	AVPR2 (0.34)	AVPR2OXTRAVPR1AAVPR1BALB
SCHEMBL12082910	0.63	FURIN (0.38)	OXTR

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-8258101-B2	Peptide-based compounds	GE HEALTHCARE AS (NO)	2012-09-04	—	—	US	disclosed