SCHEMBL16615764

CC(O)[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CO)CN[C@@H](Cc2ccccc2)C(N)=O)CCCCNC(=O)CC[C@H](NC(=O)[C@@H](N)CO)C(=O)N1C

nearest known ligand 0.46

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	MC1R	Q01726	1/20	0.46

▸	SSTR2	P30874	1/20	0.42

▸	SSTR4	P31391	1/20	0.42

▸	SSTR5	P35346	1/20	0.42

▸	OPRM1	P35372	2/20	0.41

▸	OPRD1	P41143	2/20	0.41

▸	OPRK1	P41145	2/20	0.41

▸	SSTR1	P30872	4/20	0.40

▸	SSTR3	P32745	1/20	0.40

▸	SRC	P12931	1/20	0.39

▸	MMP1	P03956	3/20	0.39

▸	MMP2	P08253	3/20	0.39

▸	MMP3	P08254	3/20	0.39

▸	MMP9	P14780	3/20	0.39

▸	MMP8	P22894	3/20	0.39

▸	TERF2	Q15554	2/20	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
SCHEMBL16615868	0.93	MC1R (0.45)	MC1RSSTR2SSTR4SSTR5OPRM1
SCHEMBL16615864	0.90	SSTR5 (0.50)	MC1RSSTR2SSTR4SSTR5OPRM1
SCHEMBL16615878	0.89	MMP1 (0.39)	MC1RSSTR2SSTR4SSTR5OPRM1
SCHEMBL16615888	0.86	MC1R (0.38)	MC1ROPRM1OPRD1OPRK1SSTR1
SCHEMBL16615854	0.86	SSTR2 (0.50)	MC1RSSTR2SSTR4SSTR5OPRM1
SCHEMBL16615743	0.85	TERF2 (0.42)	MC1RSSTR2SSTR4SSTR5OPRM1
SCHEMBL16615899	0.83	SIRT2 (0.39)	MC1ROPRM1OPRD1OPRK1MMP1
SCHEMBL16615750	0.83	SRC (0.47)	MC1RSSTR2SSTR4SSTR5OPRM1
SCHEMBL16615885	0.81	SSTR1 (0.37)	MC1ROPRM1OPRD1OPRK1SSTR1
SCHEMBL16615919	0.81	MMP1 (0.39)	MC1RSSTR2SSTR4SSTR5OPRM1

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