SCHEMBL30834205

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

nearest known ligand 0.74

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	8/20	0.66

▸	NPY4R	P50391	8/20	0.66

▸	NPY5R	Q15761	8/20	0.66

▸	NPY1R	P25929	6/20	0.66

▸	TFPI	P10646	6/20	0.64

▸	EPHA2	P29317	2/20	0.64

▸	KDM1A	O60341	2/20	0.64

▸	RAMP3	O60896	1/20	0.63

▸	CALCR	P30988	1/20	0.63

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
SCHEMBL31027702	0.97	EPHA2 (0.65)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30176462	0.95	NPY2R (0.68)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30432704	0.95	NPY2R (0.68)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31182494	0.92	NPY2R (0.69)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL31182927	0.92	NPY2R (0.71)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30567732	0.92	TFPI (0.64)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30495778	0.92	NPY2R (0.69)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29903341	0.91	NPY2R (0.66)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30423064	0.91	KEAP1 (0.69)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30576992	0.91	KDM1A (0.64)	NPY2RNPY4RNPY5RNPY1RTFPI

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
CN-117797280-A	Kit based on thrombin intelligent response type thrombotic diseases and preparation method and application thereof	中国人民解放军总医院第二医学中心	2024-04-02	—	—	CN	claimed
CN-117797280-A	Kit based on thrombin intelligent response type thrombotic diseases and preparation method and application thereof	中国人民解放军总医院第二医学中心	2024-04-02	—	—	CN	disclosed