SCHEMBL31121317

N=C(N)NCCC[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.60

▸	NMUR2	Q9GZQ4	3/20	0.53

▸	NMUR1	Q9HB89	3/20	0.53

▸	KISS1R	Q969F8	5/20	0.53

▸	NPY4R	P50391	6/20	0.52

▸	NPY1R	P25929	5/20	0.52

▸	NPY2R	P49146	4/20	0.52

▸	NPY5R	Q15761	4/20	0.52

▸	OPRM1	P35372	1/20	0.51

▸	OPRD1	P41143	1/20	0.51

▸	OPRK1	P41145	1/20	0.51

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
SCHEMBL29591879	0.94	TFPI (0.55)	TFPINMUR2NMUR1KISS1RNPY4R
SCHEMBL29548324	0.91	TFPI (0.63)	TFPIKISS1RNPY4RNPY1RNPY2R
SCHEMBL30350874	0.90	TFPI (0.55)	TFPIKISS1RNPY4RNPY1RNPY2R
SCHEMBL30562995	0.90	TFPI (0.55)	TFPIKISS1RNPY4RNPY1RNPY2R
SCHEMBL31301806	0.90	NPY4R (0.54)	TFPINPY4RNPY1RNPY2RNPY5R
SCHEMBL30861237	0.89	QRFPR (0.51)	TFPINPY4RNPY1RNPY2RNPY5R
SCHEMBL31031503	0.89	TFPI (0.60)	TFPIKISS1ROPRM1OPRD1OPRK1
SCHEMBL31256982	0.89	NPY4R (0.60)	TFPINPY4RNPY1RNPY2RNPY5R
SCHEMBL30429239	0.89	TFPI (0.62)	TFPIKISS1RNPY4RNPY1RNPY5R
SCHEMBL31005075	0.88	TFPI (0.66)	TFPI

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-115651760-B	Refining method of cottonseed mixed oil	新疆冠农股份有限公司	2024-09-20	—	—	CN	disclosed