SCHEMBL30686830

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](N)CC(N)=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](CC(=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)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)O)C(C)C

nearest known ligand 0.75

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.75

▸	F2	P00734	4/20	0.67

▸	NPY2R	P49146	7/20	0.66

▸	NPY4R	P50391	7/20	0.66

▸	NPY5R	Q15761	7/20	0.66

▸	NPY1R	P25929	5/20	0.66

▸	CRHR1	P34998	1/20	0.66

▸	CRHR2	Q13324	1/20	0.66

▸	HCRTR1	O43613	1/20	0.66

▸	HCRTR2	O43614	1/20	0.66

▸	TFPI	P10646	1/20	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
SCHEMBL30686824	1.00	CALCR (0.75)	CALCRF2NPY2RNPY4RNPY5R
SCHEMBL30686832	1.00	CALCR (0.75)	CALCRF2NPY2RNPY4RNPY5R
SCHEMBL30686828	1.00	CALCR (0.75)	CALCRF2NPY2RNPY4RNPY5R
SCHEMBL30686821	1.00	CALCR (0.75)	CALCRF2NPY2RNPY4RNPY5R
SCHEMBL30686818	1.00	CALCR (0.75)	CALCRF2NPY2RNPY4RNPY5R
SCHEMBL30686816	1.00	CALCR (0.75)	CALCRF2NPY2RNPY4RNPY5R
SCHEMBL30686823	1.00	CALCR (0.75)	CALCRF2NPY2RNPY4RNPY5R
SCHEMBL30686826	1.00	CALCR (0.75)	CALCRF2NPY2RNPY4RNPY5R
SCHEMBL30686825	1.00	CALCR (0.75)	CALCRF2NPY2RNPY4RNPY5R
SCHEMBL30686831	1.00	CALCR (0.75)	CALCRF2NPY2RNPY4RNPY5R

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