SCHEMBL7309499

CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CSCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	NPY1R	P25929	3/20	0.51

▸	NMUR2	Q9GZQ4	7/20	0.49

▸	NMUR1	Q9HB89	6/20	0.49

▸	NPY2R	P49146	1/20	0.48

▸	NPY4R	P50391	1/20	0.48

▸	NPY5R	Q15761	1/20	0.48

▸	F2	P00734	4/20	0.47

▸	KEAP1	Q14145	1/20	0.46

▸	MAPK8	P45983	1/20	0.44

▸	MAPK9	P45984	1/20	0.44

▸	MAPK10	P53779	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
SCHEMBL7309484	1.00	NPY1R (0.51)	NPY1RNMUR2NMUR1NPY2RNPY4R
SCHEMBL11771428	0.97	NPY1R (0.51)	NPY1RNMUR2NMUR1NPY2RNPY4R
SCHEMBL11771442	0.97	NPY1R (0.51)	NPY1RNMUR2NMUR1NPY2RNPY4R
SCHEMBL11774049	0.91	NPY1R (0.48)	NPY1RNMUR2NMUR1NPY2RNPY4R
SCHEMBL11773837	0.88	NMUR2 (0.52)	NMUR2NMUR1
SCHEMBL11772386	0.87	NPY1R (0.48)	NPY1RNMUR2NMUR1NPY2RNPY4R
SCHEMBL11774028	0.86	F2 (0.48)	NPY1RNMUR2NMUR1NPY2RNPY4R
SCHEMBL11774056	0.86	F2 (0.48)	NPY1RNMUR2NMUR1NPY2RNPY4R
SCHEMBL11794942	0.86	OPRD1 (0.58)	NPY1RNPY2RNPY4RNPY5RF2
SCHEMBL11794956	0.86	OPRD1 (0.58)	NPY1RNPY2RNPY4RNPY5RF2

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-4508645-A	CYCLIC OLIGOPEPTIDE CONTAINING PENICILLAMINE RESIDE	CESKOSLOVENSKA AKADEMIE VED (CS)	1985-04-02	—	—	US	disclosed