SCHEMBL29660777

CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.79

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	C5AR1	P21730	2/20	0.79

▸	IL23R	Q5VWK5	1/20	0.65

▸	CXCR4	P61073	5/20	0.61

▸	NMBR	P28336	1/20	0.60

▸	GRPR	P30550	1/20	0.60

▸	MC4R	P32245	2/20	0.59

▸	MC5R	P33032	2/20	0.59

▸	MC3R	P41968	2/20	0.59

▸	MC1R	Q01726	2/20	0.59

▸	GLP1R	P43220	6/20	0.59

▸	GCGR	P47871	3/20	0.59

▸	CTSL	P07711	1/20	0.59

▸	CTSH	P09668	1/20	0.59

▸	CTSS	P25774	1/20	0.59

▸	CTSK	P43235	1/20	0.59

▸	CCKBR	P32239	2/20	0.58

▸	NPY1R	P25929	1/20	0.58

▸	NPY2R	P49146	1/20	0.58

▸	NPY4R	P50391	1/20	0.58

▸	NPY5R	Q15761	1/20	0.58

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
SCHEMBL29660814	1.00	C5AR1 (0.79)	C5AR1IL23RCXCR4NMBRGRPR
SCHEMBL29965030	0.89	C5AR1 (0.74)	C5AR1CXCR4NMBRGRPRGLP1R
SCHEMBL31591524	0.88	C5AR1 (0.65)	C5AR1IL23RCXCR4MC4RMC5R
SCHEMBL29811264	0.88	C5AR1 (0.69)	C5AR1IL23RCXCR4NMBRGRPR
SCHEMBL31182507	0.88	NPY1R (0.72)	C5AR1CXCR4GLP1RGCGRCCKBR
SCHEMBL29742994	0.88	C5AR1 (0.73)	C5AR1IL23RCXCR4NMBRGRPR
SCHEMBL31000951	0.88	C5AR1 (0.71)	C5AR1IL23RCXCR4NMBRGRPR
SCHEMBL29416134	0.88	C5AR1 (0.64)	C5AR1CXCR4GLP1RCCKBRNPY1R
SCHEMBL9821938	0.88	C5AR1 (0.76)	C5AR1IL23RCXCR4MC4RMC5R
SCHEMBL9822027	0.88	C5AR1 (0.76)	C5AR1IL23RCXCR4MC4RMC5R

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-110590927-B	Gecko verrucosa antioxidant peptide and application thereof	济宁医学院	2022-06-14	—	—	CN	disclosed