SCHEMBL29460685

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)NCC(=O)O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.61

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	5/20	0.61

▸	CRHR1	P34998	1/20	0.60

▸	CRHR2	Q13324	1/20	0.60

▸	F2	P00734	4/20	0.56

▸	HCRTR1	O43613	1/20	0.55

▸	HCRTR2	O43614	1/20	0.55

▸	RAMP3	O60896	1/20	0.53

▸	MC4R	P32245	1/20	0.53

▸	OPRM1	P35372	2/20	0.52

▸	OPRD1	P41143	2/20	0.52

▸	OPRK1	P41145	2/20	0.52

▸	APLNR	P35414	1/20	0.52

▸	CCKBR	P32239	2/20	0.52

▸	GLP1R	P43220	2/20	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
SCHEMBL30432400	0.89	CALCR (0.70)	CALCRCRHR1CRHR2F2HCRTR1
SCHEMBL29939733	0.89	CALCR (0.73)	CALCRCRHR1CRHR2F2HCRTR1
SCHEMBL29662207	0.88	CALCR (0.52)	CALCRCRHR1CRHR2F2HCRTR1
SCHEMBL30903285	0.87	CALCR (0.60)	CALCRCRHR1CRHR2F2HCRTR1
SCHEMBL29662390	0.87	CALCR (0.54)	CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL30432634	0.87	CALCR (0.56)	CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL30432443	0.87	GLP1R (0.59)	CALCRCCKBRGLP1R
SCHEMBL30804656	0.87	F2 (0.67)	CALCRCRHR1CRHR2F2HCRTR1
SCHEMBL30432803	0.87	CALCR (0.64)	CALCRCRHR1CRHR2F2HCRTR1
SCHEMBL30607380	0.87	CALCR (0.63)	CALCRCRHR1CRHR2F2HCRTR1

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
US-20220105190-A1	METHODS OF USING GLYCOPOLYSIALYLATED THERAPEUTIC PROTEINS	LIPOXEN TECHNOLOGIES LIMITED (US)	2022-04-07	—	—	US	disclosed