SCHEMBL3357771

CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	NMUR2	Q9GZQ4	5/20	0.68

▸	NMUR1	Q9HB89	5/20	0.68

▸	KEAP1	Q14145	1/20	0.62

▸	TFPI	P10646	4/20	0.60

▸	KDM1A	O60341	2/20	0.60

▸	OPRD1	P41143	2/20	0.59

▸	CXCR4	P61073	2/20	0.59

▸	NPY1R	P25929	1/20	0.59

▸	NPY2R	P49146	1/20	0.59

▸	NPY4R	P50391	1/20	0.59

▸	NPY5R	Q15761	1/20	0.59

▸	OPRM1	P35372	1/20	0.58

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
SCHEMBL34463649	0.95	NMUR2 (0.68)	NMUR2NMUR1KEAP1TFPIKDM1A
SCHEMBL29356641	0.93	KDM1A (0.65)	NMUR2NMUR1KEAP1TFPIKDM1A
SCHEMBL1371717	0.91	KDM1A (0.71)	NMUR2NMUR1KEAP1TFPIKDM1A
SCHEMBL30834921	0.91	NMUR2 (0.65)	NMUR2NMUR1KEAP1TFPIOPRD1
SCHEMBL30842156	0.91	NMUR2 (0.65)	NMUR2NMUR1KEAP1TFPIOPRD1
SCHEMBL30437301	0.91	NMUR2 (0.66)	NMUR2NMUR1KEAP1TFPIKDM1A
SCHEMBL30842181	0.90	NMUR2 (0.64)	NMUR2NMUR1TFPIOPRD1CXCR4
SCHEMBL30712920	0.90	NMUR2 (0.69)	NMUR2NMUR1TFPIKDM1AOPRD1
SCHEMBL30416476	0.89	OPRD1 (0.69)	NMUR2NMUR1KEAP1OPRD1OPRM1
SCHEMBL30567748	0.89	NMUR2 (0.65)	NMUR2NMUR1KEAP1TFPIKDM1A

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
EP-2794663-A1	PEPTIDE THERAPEUTIC CONJUGATES AND USES THEREOF	Angiochem Inc. (CA)	2014-10-29	—	—	EP	disclosed
WO-2010063124-A1	PEPTIDE THERAPEUTIC CONJUGATES AND USES THEREOF	ANGIOCHEM INC. (CA)	2010-06-10	—	—	WO	disclosed