SCHEMBL16193333

N=C(N)NCCC[C@@H](NC(=O)CCCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCCCCCC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	ROCK2	O75116	6/20	0.53

▸	KMT2A	Q03164	1/20	0.52

▸	PRKACA	P17612	6/20	0.49

▸	AKT3	Q9Y243	6/20	0.49

▸	TLR2	O60603	3/20	0.48

▸	NPY4R	P50391	4/20	0.47

▸	NPY1R	P25929	3/20	0.47

▸	NPY5R	Q15761	3/20	0.47

▸	NPY2R	P49146	2/20	0.47

▸	PRKACB	P22694	1/20	0.46

▸	TPSAB1	Q15661	1/20	0.44

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
SCHEMBL14073973	0.87	KMT2A (0.55)	ROCK2KMT2APRKACAAKT3TLR2
SCHEMBL18164985	0.85	KMT2A (0.50)	KMT2ATLR2NPY4RNPY1RNPY5R
SCHEMBL31119413	0.84	KMT2A (0.50)	KMT2ATLR2TPSAB1
SCHEMBL16217863	0.84	KMT2A (0.58)	KMT2ATLR2TPSAB1
SCHEMBL29657651	0.83	TLR2 (0.54)	KMT2ATLR2TPSAB1
SCHEMBL29666861	0.82	PTPN1 (0.51)	TLR2NPY4RNPY1RNPY5RNPY2R
SCHEMBL31324462	0.82	KMT2A (0.66)	ROCK2KMT2ATLR2TPSAB1
SCHEMBL20833901	0.82	KMT2A (0.56)	ROCK2KMT2ATLR2
SCHEMBL19423738	0.81	KMT2A (0.55)	ROCK2KMT2ATLR2TPSAB1
SCHEMBL19423735	0.81	TLR2 (0.59)	KMT2ATLR2

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-2014170403-A1	KINASE INHIBITORS	UNIVERSITY OF TARTU (EE)	2014-10-23	—	—	WO	disclosed