SCHEMBL30686820

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)CNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)CN)[C@@H](C)O)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)O)C(C)C

nearest known ligand 0.76

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.76

▸	HCRTR1	O43613	1/20	0.69

▸	HCRTR2	O43614	1/20	0.69

▸	NPY2R	P49146	8/20	0.67

▸	NPY4R	P50391	8/20	0.67

▸	NPY5R	Q15761	8/20	0.67

▸	NPY1R	P25929	6/20	0.67

▸	F2	P00734	3/20	0.66

▸	CCKBR	P32239	2/20	0.65

▸	GLP1R	P43220	2/20	0.65

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
SCHEMBL30686827	1.00	CALCR (0.76)	CALCRHCRTR1HCRTR2NPY2RNPY4R
SCHEMBL29494575	1.00	CALCR (0.76)	CALCRHCRTR1HCRTR2NPY2RNPY4R
SCHEMBL30686816	0.96	CALCR (0.75)	CALCRHCRTR1HCRTR2NPY2RNPY4R
SCHEMBL30686815	0.96	CALCR (0.75)	CALCRHCRTR1HCRTR2NPY2RNPY4R
SCHEMBL30686824	0.96	CALCR (0.75)	CALCRHCRTR1HCRTR2NPY2RNPY4R
SCHEMBL30686818	0.96	CALCR (0.75)	CALCRHCRTR1HCRTR2NPY2RNPY4R
SCHEMBL30686823	0.96	CALCR (0.75)	CALCRHCRTR1HCRTR2NPY2RNPY4R
SCHEMBL30686832	0.96	CALCR (0.75)	CALCRHCRTR1HCRTR2NPY2RNPY4R
SCHEMBL30686821	0.96	CALCR (0.75)	CALCRHCRTR1HCRTR2NPY2RNPY4R
SCHEMBL30686817	0.96	CALCR (0.75)	CALCRHCRTR1HCRTR2NPY2RNPY4R

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-117186201-A	Branched chain modified EGF (A) analogue and application thereof	乐普（北京）医疗器械股份有限公司	2023-12-08	—	—	CN	disclosed