SCHEMBL28762269

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N(CCCC[C@H](N)[C]=O)C(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC

nearest known ligand 0.67

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	8/20	0.60

▸	NPY4R	P50391	8/20	0.60

▸	NPY5R	Q15761	8/20	0.60

▸	NPY1R	P25929	6/20	0.60

▸	KDM1A	O60341	2/20	0.57

▸	TFPI	P10646	4/20	0.56

▸	EP300	Q09472	1/20	0.56

▸	HIF1A	Q16665	1/20	0.56

▸	CALCR	P30988	2/20	0.54

▸	MAPK8	P45983	1/20	0.54

▸	MAPK9	P45984	1/20	0.54

▸	MAPK10	P53779	1/20	0.54

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
SCHEMBL28731660	0.98	NPY2R (0.60)	NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL29263405	0.93	NPY2R (0.62)	NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL21462828	0.91	NPY2R (0.62)	NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL21462831	0.91	NPY2R (0.62)	NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL30436596	0.87	MAPK8 (0.65)	NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL29903341	0.87	NPY2R (0.66)	NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL29679864	0.87	MAPK8 (0.62)	NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL30607334	0.87	NPY2R (0.68)	NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL30432199	0.86	NPY2R (0.67)	NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL30338084	0.85	NPY2R (0.62)	NPY2RNPY4RNPY5RNPY1RKDM1A

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-114502595-A	Antibodies against poliovirus receptor (PVR) and uses thereof	奈克汀治疗有限公司	2022-05-13	—	—	CN	disclosed