SCHEMBL16615869

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

nearest known ligand 0.46

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	SRC	P12931	1/20	0.46

▸	NPY4R	P50391	9/20	0.41

▸	CCKBR	P32239	6/20	0.41

▸	MC1R	Q01726	1/20	0.39

▸	POLB	P06746	1/20	0.38

▸	TDP1	Q9NUW8	1/20	0.38

▸	L3MBTL1	Q9Y468	1/20	0.38

▸	MMP1	P03956	2/20	0.37

▸	MMP2	P08253	2/20	0.37

▸	MMP3	P08254	2/20	0.37

▸	MMP9	P14780	2/20	0.37

▸	MMP8	P22894	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
SCHEMBL16615915	0.81	SRC (0.47)	SRCNPY4RCCKBRMC1RPOLB
SCHEMBL16615860	0.80	SRC (0.46)	SRCNPY4RCCKBRMC1RPOLB
SCHEMBL16615753	0.79	SRC (0.45)	SRCMC1RPOLBTDP1L3MBTL1
SCHEMBL16615856	0.79	SRC (0.42)	SRCMC1RPOLBTDP1L3MBTL1
SCHEMBL16691478	0.78	SRC (0.51)	SRCNPY4RCCKBRMC1RPOLB
SCHEMBL16691476	0.77	SRC (0.49)	SRCNPY4RCCKBRPOLBTDP1
SCHEMBL16691453	0.76	SRC (0.48)	SRCNPY4RCCKBRMC1RPOLB
SCHEMBL16615904	0.75	SRC (0.48)	SRCNPY4RCCKBRMC1RPOLB
SCHEMBL16615594	0.75	MC1R (0.46)	SRCNPY4RCCKBRMC1RMMP1
SCHEMBL16691494	0.75	SRC (0.49)	SRCNPY4RCCKBRMC1RPOLB

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