SCHEMBL29428022

CC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)NCC(=O)N[C@@H](CS)C(=O)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)C(C)C

nearest known ligand 0.66

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	10/20	0.66

▸	NPY1R	P25929	10/20	0.66

▸	NPY4R	P50391	8/20	0.66

▸	NPY5R	Q15761	8/20	0.66

▸	CALCR	P30988	4/20	0.66

▸	MAPK8	P45983	1/20	0.60

▸	MAPK9	P45984	1/20	0.60

▸	MAPK10	P53779	1/20	0.60

▸	HCRTR1	O43613	1/20	0.60

▸	HCRTR2	O43614	1/20	0.60

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
SCHEMBL30721567	0.92	CALCR (0.76)	NPY2RNPY1RNPY4RNPY5RCALCR
SCHEMBL30721550	0.92	CALCR (0.76)	NPY2RNPY1RNPY4RNPY5RCALCR
SCHEMBL30721562	0.92	CALCR (0.76)	NPY2RNPY1RNPY4RNPY5RCALCR
SCHEMBL30721613	0.92	CALCR (0.76)	NPY2RNPY1RNPY4RNPY5RCALCR
SCHEMBL30721659	0.91	CALCR (0.76)	NPY2RNPY1RNPY4RNPY5RCALCR
SCHEMBL30721582	0.91	CALCR (0.76)	NPY2RNPY1RNPY4RNPY5RCALCR
SCHEMBL30437180	0.91	CALCR (0.68)	NPY2RNPY1RNPY4RNPY5RCALCR
SCHEMBL30721552	0.91	CALCR (0.76)	NPY2RNPY1RNPY4RNPY5RCALCR
SCHEMBL30721598	0.91	CALCR (0.76)	NPY2RNPY1RNPY4RNPY5RCALCR
SCHEMBL30721584	0.90	CALCR (0.72)	NPY2RNPY1RNPY4RNPY5RCALCR

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-108948183-B	Alpha 1 receptor and AT1 receptor antigen analogue polypeptide, antibody detection kit and application thereof	武汉华纪元生物技术开发有限公司	2022-01-28	—	—	CN	claimed