SCHEMBL29961384

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)[C@@H](C)CC)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	6/20	0.63

▸	F2	P00734	4/20	0.61

▸	HCRTR1	O43613	1/20	0.61

▸	HCRTR2	O43614	1/20	0.61

▸	CXCR4	P61073	1/20	0.54

▸	CRHR1	P34998	1/20	0.53

▸	CRHR2	Q13324	1/20	0.53

▸	CCKBR	P32239	2/20	0.52

▸	GLP1R	P43220	2/20	0.52

▸	OPRD1	P41143	1/20	0.50

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
SCHEMBL30432534	0.89	CALCR (0.76)	CALCRF2HCRTR1HCRTR2CRHR1
SCHEMBL30804650	0.88	CALCR (0.72)	CALCRF2HCRTR1HCRTR2CRHR1
SCHEMBL30431826	0.87	CALCR (0.59)	CALCRF2HCRTR1HCRTR2CRHR1
SCHEMBL31182671	0.87	CALCR (0.70)	CALCRF2HCRTR1HCRTR2CRHR1
SCHEMBL30431873	0.87	CALCR (0.70)	CALCRF2HCRTR1HCRTR2CRHR1
SCHEMBL30432386	0.86	F2 (0.62)	CALCRF2HCRTR1HCRTR2CRHR1
SCHEMBL30432465	0.86	CALCR (0.63)	CALCRF2HCRTR1HCRTR2CXCR4
SCHEMBL31182855	0.85	CALCR (0.65)	CALCRF2HCRTR1HCRTR2CXCR4
SCHEMBL31000925	0.85	CALCR (0.76)	CALCRF2HCRTR1HCRTR2CRHR1
SCHEMBL31182460	0.85	CALCR (0.69)	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-112999332-B	Esterase response nano-drug and preparation method and application thereof	郑州大学	2022-11-22	—	—	CN	disclosed