SCHEMBL30198602

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

nearest known ligand 0.56

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.56

▸	BACE1	P56817	9/20	0.56

▸	BACE2	Q9Y5Z0	3/20	0.56

▸	VIPR2	P41587	4/20	0.54

▸	VIPR1	P32241	3/20	0.53

▸	NPY5R	Q15761	3/20	0.53

▸	NPY1R	P25929	2/20	0.53

▸	NPY4R	P50391	2/20	0.53

▸	OPRD1	P41143	1/20	0.52

▸	CTSD	P07339	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
SCHEMBL30345254	0.90	NPY4R (0.58)	BACE1NPY5RNPY1RNPY4R
SCHEMBL29596291	0.89	TFPI (0.66)	TFPIVIPR1
SCHEMBL29968102	0.88	BACE1 (0.58)	BACE1BACE2NPY5RNPY1RNPY4R
SCHEMBL31410845	0.88	TFPI (0.56)	TFPIVIPR1NPY5RNPY1RNPY4R
SCHEMBL31047374	0.88	TFPI (0.66)	TFPIBACE1BACE2VIPR2VIPR1
SCHEMBL29810719	0.88	TFPI (0.62)	TFPIBACE1BACE2VIPR1CTSD
SCHEMBL31280508	0.86	NPY4R (0.55)	TFPIVIPR2VIPR1NPY5RNPY1R
SCHEMBL29816823	0.86	NPY4R (0.55)	TFPINPY5RNPY1RNPY4R
SCHEMBL30242239	0.86	TFPI (0.54)	TFPIVIPR2VIPR1NPY5RNPY1R
SCHEMBL30483946	0.85	NPY4R (0.59)	BACE1BACE2NPY5RNPY1RNPY4R

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
US-11566256-B2	Polynucleotides and polypeptides in plants	MENDEL BIOTECHNOLOGY, INC. (US)	2023-01-31	—	—	US	disclosed