SCHEMBL30511771

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.67

▸	F2	P00734	4/20	0.66

▸	NPY2R	P49146	8/20	0.65

▸	NPY4R	P50391	8/20	0.65

▸	NPY5R	Q15761	8/20	0.65

▸	NPY1R	P25929	6/20	0.65

▸	GLP1R	P43220	2/20	0.62

▸	GCGR	P47871	2/20	0.62

▸	GIPR	P48546	2/20	0.62

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
SCHEMBL30567015	0.96	CALCR (0.67)	CALCRF2NPY2RNPY4RNPY5R
SCHEMBL30437124	0.92	F2 (0.66)	CALCRF2NPY2RNPY4RNPY5R
SCHEMBL30437180	0.91	CALCR (0.68)	CALCRF2NPY2RNPY4RNPY5R
SCHEMBL31182915	0.91	CALCR (0.72)	CALCRF2GLP1RGCGRGIPR
SCHEMBL30511775	0.91	CALCR (0.64)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30721582	0.91	CALCR (0.76)	CALCRF2NPY2RNPY4RNPY5R
SCHEMBL30495699	0.91	CALCR (0.73)	CALCRF2NPY2RNPY4RNPY5R
SCHEMBL31148886	0.91	CALCR (0.70)	CALCRF2NPY2RNPY4RNPY5R
SCHEMBL29949425	0.90	CALCR (0.67)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30495635	0.90	NPY2R (0.66)	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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-116478270-A	Notch1 fragment peptides and their anti-leukemia effect	浙江理工大学	2023-07-25	—	—	CN	claimed
CN-116478270-A	Notch1 fragment peptides and their anti-leukemia effect	浙江理工大学	2023-07-25	—	—	CN	disclosed