SCHEMBL29949432

CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)O

nearest known ligand 0.65

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	EPHA2	P29317	2/20	0.63

▸	TFPI	P10646	5/20	0.61

▸	NMUR2	Q9GZQ4	4/20	0.60

▸	NMUR1	Q9HB89	4/20	0.60

▸	OPRM1	P35372	2/20	0.60

▸	OPRD1	P41143	2/20	0.60

▸	KDM1A	O60341	1/20	0.57

▸	C5AR1	P21730	1/20	0.57

▸	MC4R	P32245	1/20	0.57

▸	MC5R	P33032	1/20	0.57

▸	MC3R	P41968	1/20	0.57

▸	MC1R	Q01726	1/20	0.57

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
SCHEMBL30731385	0.89	NMUR2 (0.64)	TFPINMUR2NMUR1KDM1A
SCHEMBL29463777	0.88	OPRM1 (0.62)	EPHA2TFPINMUR2NMUR1OPRM1
SCHEMBL34463649	0.87	NMUR2 (0.68)	TFPINMUR2NMUR1OPRM1OPRD1
SCHEMBL30437301	0.87	NMUR2 (0.66)	EPHA2TFPINMUR2NMUR1KDM1A
SCHEMBL29463778	0.87	NPY2R (0.61)	TFPINMUR2NMUR1OPRM1OPRD1
SCHEMBL30842181	0.86	NMUR2 (0.64)	EPHA2TFPINMUR2NMUR1OPRM1
SCHEMBL29625797	0.86	TFPI (0.66)	TFPINMUR2NMUR1KDM1A
SCHEMBL3357771	0.86	NMUR2 (0.68)	TFPINMUR2NMUR1OPRM1OPRD1
SCHEMBL31182662	0.86	NPY2R (0.68)	TFPINMUR2NMUR1KDM1A
SCHEMBL31020752	0.86	NPY2R (0.64)	TFPINMUR2NMUR1

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
CN-113308448-B	Rice leaf color regulation gene WSS1 and encoding protein and application thereof	中国农业科学院作物科学研究所	2022-11-18	—	—	CN	disclosed