SCHEMBL16615855

CC=C(N)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCCNC(=O)CC[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C(C)O)CN[C@@H](CO)C(=O)N1

nearest known ligand 0.43

Predicted protein targets (top 17)

	gene	UniProt	supporting neighbours	confidence
▸	MC1R	Q01726	1/20	0.43

▸	SRC	P12931	3/20	0.42

▸	SSTR2	P30874	1/20	0.41

▸	SSTR4	P31391	1/20	0.41

▸	SSTR5	P35346	1/20	0.41

▸	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

▸	KDM1A	O60341	1/20	0.39

▸	RCOR1	Q9UKL0	1/20	0.39

▸	OPRM1	P35372	2/20	0.39

▸	OPRD1	P41143	2/20	0.39

▸	OPRK1	P41145	2/20	0.39

▸	REN	P00797	2/20	0.38

▸	TERF2	Q15554	2/20	0.37

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
SCHEMBL16615594	0.95	MC1R (0.46)	MC1RSRCSSTR2SSTR4SSTR5
SCHEMBL16615755	0.81	STAT3 (0.43)	MC1RSRCSSTR2SSTR4SSTR5
SCHEMBL16615868	0.81	MC1R (0.45)	MC1RSRCSSTR2SSTR4SSTR5
SCHEMBL16615904	0.80	SRC (0.48)	MC1RSRCSSTR2SSTR4SSTR5
SCHEMBL16615751	0.80	SSTR5 (0.47)	MC1RSRCSSTR2SSTR4SSTR5
SCHEMBL16615864	0.79	SSTR5 (0.50)	MC1RSRCSSTR2SSTR4SSTR5
SCHEMBL16691478	0.79	SRC (0.51)	MC1RSRCSSTR2SSTR4SSTR5
SCHEMBL16615854	0.79	SSTR2 (0.50)	MC1RSRCSSTR2SSTR4SSTR5
SCHEMBL16615896	0.78	MMP1 (0.41)	SRCMMP1MMP2MMP3MMP9
SCHEMBL16615753	0.78	SRC (0.45)	MC1RSRCSSTR2SSTR4SSTR5

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