SCHEMBL17226128

COCCOCCCN1CCN(CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O)CC1

nearest known ligand 0.66

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	NMUR2	Q9GZQ4	9/20	0.66

▸	NMUR1	Q9HB89	8/20	0.66

▸	NPY4R	P50391	7/20	0.51

▸	NPY5R	Q15761	6/20	0.51

▸	NPY1R	P25929	5/20	0.51

▸	NPY2R	P49146	3/20	0.51

▸	TFPI	P10646	1/20	0.49

▸	HRAS	P01112	1/20	0.48

▸	KRAS	P01116	1/20	0.48

▸	SOS1	Q07889	1/20	0.48

▸	KISS1R	Q969F8	1/20	0.48

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
SCHEMBL2628477	0.94	NMUR2 (0.58)	NMUR2NMUR1NPY4RNPY5RNPY1R
SCHEMBL17226120	0.93	NPY5R (0.58)	NMUR2NMUR1NPY4RNPY5RNPY1R
SCHEMBL17226117	0.90	NMUR2 (0.58)	NMUR2NMUR1NPY4RNPY5RNPY1R
SCHEMBL2628481	0.86	NMUR2 (0.50)	NMUR2NMUR1NPY4RNPY5RNPY1R
SCHEMBL2628482	0.85	NMUR2 (0.56)	NMUR2NMUR1NPY4RNPY5RNPY1R
SCHEMBL17226114	0.82	NMUR2 (0.68)	NMUR2NMUR1NPY1R
SCHEMBL17226118	0.82	KISS1R (0.58)	KISS1R
SCHEMBL17226116	0.80	KISS1R (0.56)	KISS1R
SCHEMBL17226106	0.80	NMUR2 (0.56)	NMUR2NMUR1
SCHEMBL2628480	0.79	KISS1R (0.54)	KISS1R

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-9175037-B2	Neuromedin U derivative	TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP)	2015-11-03	—	—	US	disclosed