SCHEMBL16615765

CC(O)[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)CO)CCC(=O)NCCCC[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)N(C)C(=O)[C@H](CO)NC1=O

nearest known ligand 0.42

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	STAT3	P40763	2/20	0.42

▸	SSTR2	P30874	1/20	0.41

▸	SSTR4	P31391	1/20	0.41

▸	SSTR5	P35346	1/20	0.41

▸	OPRM1	P35372	3/20	0.41

▸	OPRD1	P41143	3/20	0.41

▸	OPRK1	P41145	3/20	0.41

▸	MC1R	Q01726	1/20	0.41

▸	CPB2	Q96IY4	1/20	0.40

▸	SSTR1	P30872	2/20	0.40

▸	SSTR3	P32745	1/20	0.40

▸	REN	P00797	2/20	0.39

▸	CALCRL	Q16602	1/20	0.39

▸	SRC	P12931	1/20	0.39

▸	CPA1	P15085	1/20	0.39

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
SCHEMBL16615884	0.85	SSTR1 (0.43)	STAT3SSTR2SSTR4SSTR5OPRM1
SCHEMBL16615755	0.84	STAT3 (0.43)	STAT3SSTR2SSTR4SSTR5OPRM1
SCHEMBL16615868	0.84	MC1R (0.45)	SSTR2SSTR4SSTR5OPRM1OPRD1
SCHEMBL16615904	0.83	SRC (0.48)	STAT3SSTR2SSTR4SSTR5MC1R
SCHEMBL16691478	0.82	SRC (0.51)	STAT3SSTR2SSTR4SSTR5MC1R
SCHEMBL16615594	0.82	MC1R (0.46)	STAT3SSTR2SSTR4SSTR5OPRM1
SCHEMBL16615864	0.81	SSTR5 (0.50)	SSTR2SSTR4SSTR5OPRM1OPRD1
SCHEMBL16691476	0.81	SRC (0.49)	STAT3SSTR2SSTR4SSTR5SSTR1
SCHEMBL16615857	0.81	SSTR1 (0.43)	SSTR2SSTR4SSTR5OPRM1OPRD1
SCHEMBL16691494	0.81	SRC (0.49)	STAT3SSTR2SSTR4SSTR5MC1R

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
WO-2015044900-A1	THERAPEUTIC IMMUNOMODULATING COMPOUNDS	AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN)	2015-04-02	—	—	WO	disclosed