SCHEMBL29593115

CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O)C(C)C

nearest known ligand 0.69

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	C5AR1	P21730	2/20	0.69

▸	MC4R	P32245	1/20	0.62

▸	NPY2R	P49146	7/20	0.61

▸	NPY4R	P50391	7/20	0.61

▸	NPY5R	Q15761	7/20	0.61

▸	NPY1R	P25929	5/20	0.61

▸	TFPI	P10646	4/20	0.60

▸	KDM1A	O60341	1/20	0.60

▸	MAOB	P27338	1/20	0.60

▸	KDM5A	P29375	1/20	0.60

▸	KDM1B	Q8NB78	1/20	0.60

▸	F2	P00734	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
SCHEMBL29593655	1.00	C5AR1 (0.69)	C5AR1MC4RNPY2RNPY4RNPY5R
SCHEMBL29593954	1.00	C5AR1 (0.69)	C5AR1MC4RNPY2RNPY4RNPY5R
SCHEMBL30261994	0.92	C5AR1 (0.65)	C5AR1MC4RNPY2RNPY4RNPY5R
SCHEMBL29638066	0.90	MC4R (0.61)	C5AR1MC4RNPY2RNPY4RNPY5R
SCHEMBL29638059	0.90	MC4R (0.61)	C5AR1MC4RNPY2RNPY4RNPY5R
SCHEMBL30432686	0.90	C5AR1 (0.66)	C5AR1MC4RNPY2RNPY4RNPY5R
SCHEMBL29855908	0.89	MC4R (0.68)	C5AR1MC4RNPY2RNPY4RNPY5R
SCHEMBL31182473	0.89	NPY2R (0.70)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29716050	0.89	GLP1R (0.62)	C5AR1TFPI
SCHEMBL31622479	0.89	C5AR1 (0.68)	C5AR1MC4RF2

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-112773904-B	Nanoscale double-gene delivery system with synergistic expression function and preparation method and application thereof	天津大学	2022-04-26	—	—	CN	disclosed