SCHEMBL16351098

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

nearest known ligand 0.34

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	AVPR2	P30518	2/20	0.34

▸	OXTR	P30559	2/20	0.34

▸	AVPR1A	P37288	2/20	0.34

▸	AVPR1B	P47901	2/20	0.34

▸	ALB	P02768	1/20	0.33

▸	IL23R	Q5VWK5	3/20	0.32

▸	PLAU	P00749	1/20	0.32

▸	CSNK2A2	P19784	1/20	0.31

▸	CSNK2B	P67870	1/20	0.31

▸	CSNK2A1	P68400	1/20	0.31

▸	CSNK2A3	Q8NEV1	1/20	0.31

▸	BCL2L1	Q07817	1/20	0.31

▸	BAD	Q92934	1/20	0.31

▸	CHRNA7	P36544	1/20	0.31

▸	CHRNA10	Q9GZZ6	1/20	0.31

▸	CHRNA9	Q9UGM1	1/20	0.31

▸	KLK7	P49862	1/20	0.31

▸	KLKB1	P03952	1/20	0.30

▸	TSLP	Q969D9	1/20	0.30

▸	PRLHR	P49683	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
SCHEMBL13113567	0.86	AVPR1A (0.35)	AVPR2OXTRAVPR1AAVPR1BALB
SCHEMBL13287918	0.79	ALB (0.47)	ALBPLAUKLK7KLKB1TSLP
SCHEMBL13287950	0.78	ALB (0.46)	ALBPLAUCHRNA7CHRNA10CHRNA9
SCHEMBL12085211	0.77	ALB (0.44)	AVPR2OXTRAVPR1AAVPR1BALB
SCHEMBL12082807	0.77	—	—
SCHEMBL13287937	0.73	ALB (0.44)	ALBIL23RPLAUCHRNA7CHRNA10
SCHEMBL12082722	0.68	AVPR2 (0.33)	AVPR2OXTRAVPR1AAVPR1BALB
SCHEMBL14195226	0.68	KEAP1 (0.33)	AVPR2OXTRAVPR1AAVPR1BALB
SCHEMBL14195236	0.68	ALB (0.34)	AVPR2OXTRAVPR1AAVPR1BALB
SCHEMBL16328406	0.67	AVPR2 (0.37)	AVPR2OXTRAVPR1AAVPR1BKLK7

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