SCHEMBL29949429

CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)[C@@H](C)O)C(C)C)C(C)C)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)O

nearest known ligand 0.68

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	5/20	0.62

▸	NPY2R	P49146	8/20	0.62

▸	NPY4R	P50391	8/20	0.62

▸	NPY5R	Q15761	8/20	0.62

▸	NPY1R	P25929	6/20	0.62

▸	CALCR	P30988	4/20	0.59

▸	OPRM1	P35372	2/20	0.57

▸	OPRD1	P41143	2/20	0.57

▸	OPRK1	P41145	2/20	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
SCHEMBL30824299	0.90	CALCR (0.61)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL30432005	0.89	CALCR (0.62)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL30273396	0.89	NPY2R (0.58)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL30429119	0.88	NPY2R (0.67)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL29610214	0.88	CALCR (0.62)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL30495626	0.88	NPY2R (0.68)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL30658245	0.88	CALCR (0.71)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL30974100	0.88	TFPI (0.66)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL30495646	0.88	CALCR (0.65)	TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL30906484	0.88	TFPI (0.59)	TFPINPY2RNPY4RNPY5RNPY1R

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