SCHEMBL30392169

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	C5AR1	P21730	2/20	0.66

▸	GLP1R	P43220	10/20	0.60

▸	NPY1R	P25929	1/20	0.58

▸	NPY2R	P49146	1/20	0.58

▸	NPY4R	P50391	1/20	0.58

▸	NPY5R	Q15761	1/20	0.58

▸	KEAP1	Q14145	1/20	0.57

▸	GCGR	P47871	4/20	0.56

▸	GIPR	P48546	1/20	0.56

▸	CTSL	P07711	2/20	0.56

▸	CTSS	P25774	2/20	0.56

▸	CTSK	P43235	2/20	0.56

▸	CTSH	P09668	1/20	0.56

▸	CXCR4	P61073	2/20	0.55

▸	APLNR	P35414	1/20	0.55

▸	CCKBR	P32239	2/20	0.55

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
SCHEMBL30392901	0.97	C5AR1 (0.65)	C5AR1GLP1RNPY1RNPY2RNPY4R
SCHEMBL29429574	0.92	GLP1R (0.69)	C5AR1GLP1RNPY1RNPY2RNPY4R
SCHEMBL31006727	0.91	C5AR1 (0.68)	C5AR1GLP1RKEAP1GCGRGIPR
SCHEMBL30495687	0.91	NPY1R (0.68)	C5AR1GLP1RNPY1RNPY2RNPY4R
SCHEMBL30432462	0.91	C5AR1 (0.68)	C5AR1GLP1RNPY1RNPY2RNPY4R
SCHEMBL30903283	0.90	C5AR1 (0.68)	C5AR1GLP1RNPY1RNPY2RNPY4R
SCHEMBL29649771	0.89	C5AR1 (0.70)	C5AR1GLP1RNPY1RNPY2RNPY4R
SCHEMBL30116695	0.89	C5AR1 (0.57)	C5AR1NPY1RNPY2RNPY4RNPY5R
SCHEMBL29965030	0.89	C5AR1 (0.74)	C5AR1GLP1RNPY1RNPY2RNPY4R
SCHEMBL30859276	0.89	NPY1R (0.65)	C5AR1GLP1RNPY1RNPY2RNPY4R

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-111621288-B	Self-assembled material capable of forming nano defense network in situ of tumor, and preparation method and application thereof	国家纳米科学中心	2023-05-12	—	—	CN	disclosed