SCHEMBL1274597

CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@H]([C]=O)CCC(N)=O

nearest known ligand 0.57

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	OPRM1	P35372	3/20	0.57

▸	OPRD1	P41143	3/20	0.57

▸	OPRK1	P41145	1/20	0.57

▸	BACE1	P56817	6/20	0.56

▸	BACE2	Q9Y5Z0	5/20	0.56

▸	TFPI	P10646	1/20	0.56

▸	KISS1R	Q969F8	3/20	0.53

▸	GLP1R	P43220	4/20	0.53

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
SCHEMBL31538473	0.91	OPRM1 (0.61)	OPRM1OPRD1OPRK1BACE1BACE2
SCHEMBL30874383	0.91	BACE1 (0.63)	OPRM1OPRD1OPRK1BACE1BACE2
SCHEMBL29634680	0.90	BACE1 (0.64)	OPRM1OPRD1OPRK1BACE1BACE2
SCHEMBL30874382	0.88	BACE1 (0.60)	OPRM1OPRD1OPRK1BACE1BACE2
SCHEMBL30874381	0.88	BACE1 (0.60)	OPRM1OPRD1OPRK1BACE1BACE2
SCHEMBL30874384	0.88	BACE1 (0.60)	OPRM1OPRD1OPRK1BACE1BACE2
SCHEMBL30120636	0.88	TFPI (0.66)	BACE1BACE2TFPIGLP1R
SCHEMBL30721553	0.88	TFPI (0.66)	BACE1BACE2TFPIGLP1R
SCHEMBL30721600	0.87	TFPI (0.64)	BACE1BACE2TFPIGLP1R
SCHEMBL30467092	0.85	TFPI (0.62)	OPRM1OPRD1OPRK1BACE1BACE2

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-20110046071-A1	GLP-1 Receptor Agonists And Related Active Pharmaceutical Ingredients For Treatment Of Cancer	TEL HASHOMER MEDICAL RESEARCH INFRASTRUCTURE AND SERVICES LTD. (IL)	2011-02-24	—	—	US	disclosed