SCHEMBL30567014

CC[C@H](C)[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](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)[C@@H](C)O)C(C)C)C(C)C)C(=O)N[C@@H](CS)C(=O)I

nearest known ligand 0.65

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	6/20	0.65

▸	F2	P00734	4/20	0.57

▸	HCRTR1	O43613	1/20	0.56

▸	HCRTR2	O43614	1/20	0.56

▸	CRHR1	P34998	1/20	0.56

▸	CRHR2	Q13324	1/20	0.56

▸	CCKBR	P32239	4/20	0.55

▸	GLP1R	P43220	4/20	0.55

▸	CXCR4	P61073	1/20	0.52

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	0.92	CALCR (0.67)	CALCRF2HCRTR1HCRTR2CXCR4
SCHEMBL30511771	0.87	CALCR (0.67)	CALCRF2GLP1R
SCHEMBL30906376	0.86	CALCR (0.70)	CALCRF2HCRTR1HCRTR2CRHR1
SCHEMBL30432317	0.86	CALCR (0.69)	CALCRF2HCRTR1HCRTR2CRHR1
SCHEMBL30598121	0.85	CALCR (0.75)	CALCRF2HCRTR1HCRTR2CRHR1
SCHEMBL30576894	0.85	CALCR (0.69)	CALCRF2HCRTR1HCRTR2CRHR1
SCHEMBL30432534	0.85	CALCR (0.76)	CALCRF2HCRTR1HCRTR2CRHR1
SCHEMBL31073576	0.85	CALCR (0.62)	CALCRF2HCRTR1HCRTR2CRHR1
SCHEMBL29903351	0.85	CALCR (0.71)	CALCRF2HCRTR1HCRTR2CRHR1
SCHEMBL30607298	0.84	CALCR (0.66)	CALCRF2HCRTR1HCRTR2CRHR1

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-116903726-A	Cyclizing modification of Notch1 fragment peptide and anti-leukemia effect thereof	浙江理工大学	2023-10-20	—	—	CN	claimed