SCHEMBL29463786

C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O

nearest known ligand 0.69

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	7/20	0.61

▸	NPY4R	P50391	7/20	0.61

▸	NPY5R	Q15761	7/20	0.61

▸	NPY1R	P25929	5/20	0.61

▸	TFPI	P10646	4/20	0.61

▸	NMUR2	Q9GZQ4	3/20	0.61

▸	NMUR1	Q9HB89	3/20	0.61

▸	KEAP1	Q14145	1/20	0.61

▸	RAMP3	O60896	1/20	0.60

▸	CALCR	P30988	1/20	0.60

▸	OPRM1	P35372	2/20	0.59

▸	OPRD1	P41143	2/20	0.59

▸	OPRK1	P41145	2/20	0.59

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
SCHEMBL29463778	1.00	NPY2R (0.61)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29463777	0.93	OPRM1 (0.62)	TFPINMUR2NMUR1KEAP1RAMP3
SCHEMBL31020752	0.90	NPY2R (0.64)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31174223	0.90	NPY2R (0.64)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31182450	0.89	NPY2R (0.66)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31694487	0.89	KEAP1 (0.68)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31182566	0.89	TFPI (0.68)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30423064	0.89	KEAP1 (0.69)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29678305	0.88	IL23R (0.59)	NMUR2NMUR1KEAP1RAMP3CALCR
SCHEMBL31376421	0.88	OPRL1 (0.59)	OPRM1OPRD1

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-111206017-B	Serum-free culture medium for stem cells and application thereof	浙江大学	2022-02-18	—	—	CN	disclosed