SCHEMBL30561567

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	C5AR1	P21730	1/20	0.69

▸	NPY1R	P25929	1/20	0.68

▸	NPY2R	P49146	1/20	0.68

▸	NPY4R	P50391	1/20	0.68

▸	NPY5R	Q15761	1/20	0.68

▸	GLP1R	P43220	12/20	0.66

▸	GCGR	P47871	9/20	0.66

▸	CXCR4	P61073	4/20	0.65

▸	GIPR	P48546	6/20	0.63

▸	KEAP1	Q14145	1/20	0.63

▸	CCKBR	P32239	1/20	0.61

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
Trifluoroacetic Acid SCHEMBL29375947	0.98	C5AR1 (0.67)	C5AR1NPY1RNPY2RNPY4RNPY5R
SCHEMBL30429341	0.93	GLP1R (0.68)	C5AR1NPY1RNPY2RNPY4RNPY5R
SCHEMBL29638067	0.91	GLP1R (0.74)	C5AR1NPY1RNPY2RNPY4RNPY5R
SCHEMBL29638062	0.91	GLP1R (0.74)	C5AR1NPY1RNPY2RNPY4RNPY5R
SCHEMBL30881892	0.91	C5AR1 (0.70)	C5AR1NPY1RNPY2RNPY4RNPY5R
SCHEMBL29697161	0.91	CXCR4 (0.68)	C5AR1CXCR4
SCHEMBL30932062	0.91	GLP1R (0.74)	C5AR1NPY1RNPY2RNPY4RNPY5R
SCHEMBL30932061	0.90	GLP1R (0.72)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL29477071	0.90	GLP1R (0.66)	C5AR1NPY1RNPY2RNPY4RNPY5R
SCHEMBL30658362	0.90	NMBR (0.65)	C5AR1NPY1RNPY2RNPY4RNPY5R

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-111278452-B	Uremia medicine with orexin as active component	杰优泰德株式会社	2023-08-29	—	—	CN	disclosed