SCHEMBL29649229

CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC(C)C)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	NPY2R	P49146	8/20	0.67

▸	NPY4R	P50391	8/20	0.67

▸	NPY5R	Q15761	8/20	0.67

▸	NPY1R	P25929	6/20	0.67

▸	TFPI	P10646	4/20	0.63

▸	EP300	Q09472	1/20	0.62

▸	HIF1A	Q16665	1/20	0.62

▸	KDM1A	O60341	3/20	0.61

▸	MAOB	P27338	1/20	0.61

▸	KDM5A	P29375	1/20	0.61

▸	KDM1B	Q8NB78	1/20	0.61

▸	RAMP3	O60896	1/20	0.61

▸	CALCR	P30988	1/20	0.61

▸	F2	P00734	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
SCHEMBL30607379	0.94	NPY2R (0.69)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30607429	0.92	NPY2R (0.66)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30432659	0.91	EP300 (0.69)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30432502	0.91	NPY2R (0.67)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30432021	0.91	NPY2R (0.68)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL29509548	0.91	TFPI (0.65)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30607435	0.91	NPY2R (0.76)	NPY2RNPY4RNPY5RNPY1RTFPI
Cathelicidin SCHEMBL29350781	0.91	NPY2R (0.65)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30906464	0.90	NPY2R (0.70)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30512543	0.90	NTSR2 (0.65)	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-112391371-B	Tobacco monoterpene synthetase TPS2b, and coding gene and application thereof	中国科学院青岛生物能源与过程研究所	2022-05-20	—	—	CN	disclosed