SCHEMBL13160651

CCC(C)C(NC(=O)/N=C(/CS)NC(=O)Cn1nc(-c2ccccc2)c2c(N)ncnc21)C(=O)C(Cc1ccc(O)cc1)C(=O)NC(CCCCN)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(Cc1ccc(O)cc1)C(C)=O

nearest known ligand 0.37

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	F2	P00734	2/20	0.36

▸	OPRD1	P41143	7/20	0.35

▸	OPRM1	P35372	1/20	0.35

▸	OPRK1	P41145	1/20	0.35

▸	FYN	P06241	1/20	0.35

▸	BTK	Q06187	1/20	0.34

▸	NPY1R	P25929	1/20	0.34

▸	NPY2R	P49146	1/20	0.34

▸	NPY4R	P50391	1/20	0.34

▸	NPY5R	Q15761	1/20	0.34

▸	NTSR2	O95665	1/20	0.34

▸	NTSR1	P30989	1/20	0.34

▸	NPBWR1	P48145	1/20	0.33

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
SCHEMBL14453772	0.81	F2 (0.46)	F2OPRD1NTSR2NTSR1
SCHEMBL13160649	0.79	SRC (0.45)	FYNBTK
SCHEMBL14453771	0.79	F2 (0.45)	F2OPRD1NTSR2NTSR1
SCHEMBL14453773	0.78	F2 (0.41)	F2OPRD1OPRM1OPRK1NPY1R
SCHEMBL14453781	0.78	F2 (0.41)	F2OPRD1OPRM1OPRK1NPY1R
SCHEMBL14453778	0.78	F2 (0.41)	F2OPRD1OPRM1OPRK1NPY1R
SCHEMBL14453776	0.77	F2 (0.49)	F2OPRD1NPY1RNPY2RNPY4R
SCHEMBL14453784	0.76	NPY1R (0.45)	F2NPY1RNPY4R
SCHEMBL13160647	0.72	FYN (0.42)	FYNBTK
SCHEMBL13183487	0.62	SRC (0.47)	FYNBTK

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
US-7799753-B2	Bisubstrate inhibitors of protein tyrosine kinases as therapeutic agents	Board of Governers for Higher Education (US)	2010-09-21	—	—	US	disclosed