SCHEMBL30578726

CC(C)C[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.49

▸	RXFP1	Q9HBX9	2/20	0.45

▸	GRPR	P30550	1/20	0.43

▸	NPY5R	Q15761	3/20	0.43

▸	NPY1R	P25929	2/20	0.43

▸	NPY4R	P50391	2/20	0.43

▸	RAMP3	O60896	5/20	0.41

▸	CALCR	P30988	5/20	0.41

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
SCHEMBL30578724	0.94	TFPI (0.48)	TFPIRXFP1GRPRNPY5RNPY1R
SCHEMBL31182628	0.90	RXFP1 (0.54)	TFPIRXFP1NPY5RNPY1RNPY4R
SCHEMBL29523429	0.88	RXFP1 (0.52)	TFPIRXFP1
SCHEMBL30471854	0.88	NPY4R (0.45)	TFPINPY5RNPY1RNPY4R
SCHEMBL30880903	0.86	RXFP1 (0.46)	TFPIRXFP1
SCHEMBL30538339	0.86	NPY5R (0.47)	TFPIRXFP1NPY5RNPY1RNPY4R
SCHEMBL30607321	0.86	RXFP1 (0.60)	TFPIRXFP1NPY5RNPY1RNPY4R
SCHEMBL30880897	0.85	TFPI (0.49)	TFPIRXFP1GRPRNPY5RNPY1R
SCHEMBL30140917	0.85	TFPI (0.51)	TFPIRXFP1GRPRNPY5RNPY1R
SCHEMBL30218809	0.83	BACE1 (0.43)	TFPIRXFP1NPY5RNPY1RNPY4R

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-116769027-B	anti-IL-17 nanobody, polypeptide and application thereof	康元医疗科技(大连)有限公司	2023-12-01	—	—	CN	disclosed
CN-116769027-A	anti-IL-17 nanobody, polypeptide and application thereof	康元医疗科技(大连)有限公司	2023-09-19	—	—	CN	disclosed