SCHEMBL7619215

CCCCCCCC(=O)N(C(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)CN)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	NMUR2	Q9GZQ4	4/20	0.58

▸	NMUR1	Q9HB89	4/20	0.58

▸	APLNR	P35414	2/20	0.55

▸	TFPI	P10646	2/20	0.54

▸	NPY2R	P49146	4/20	0.53

▸	NPY4R	P50391	4/20	0.53

▸	NPY5R	Q15761	4/20	0.53

▸	NPY1R	P25929	3/20	0.53

▸	OPRM1	P35372	6/20	0.53

▸	OPRK1	P41145	6/20	0.53

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
SCHEMBL16150700	0.90	APLNR (0.64)	APLNR
SCHEMBL7053513	0.89	NMUR2 (0.47)	NMUR2NMUR1APLNROPRM1
SCHEMBL30166497	0.88	APLNR (0.62)	APLNRTFPINPY2RNPY4RNPY5R
SCHEMBL5059932	0.88	APLNR (0.64)	APLNR
SCHEMBL5068412	0.87	APLNR (0.60)	APLNRTFPI
SCHEMBL4459179	0.87	APLNR (0.63)	APLNR
SCHEMBL31455187	0.83	NMUR2 (0.65)	NMUR2NMUR1TFPINPY2RNPY4R
SCHEMBL29526046	0.83	APLNR (0.64)	APLNRTFPINPY2RNPY4RNPY5R
SCHEMBL29525577	0.83	APLNR (0.64)	APLNRTFPINPY2RNPY4RNPY5R
SCHEMBL4464636	0.83	APLNR (0.54)	APLNR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-20020187938-A1	Ghrelin antagonists	ARDANA BIOSCIENCE LIMITED (GB)	2002-12-12	—	—	US	claimed
US-20020187938-A1	Ghrelin antagonists	ARDANA BIOSCIENCE LIMITED (GB)	2002-12-12	—	—	US	disclosed