SCHEMBL30518992

CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)O)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	RXFP1	Q9HBX9	2/20	0.46

▸	TFPI	P10646	1/20	0.45

▸	PTH1R	Q03431	2/20	0.44

▸	NMT2	O60551	1/20	0.43

▸	NMT1	P30419	1/20	0.43

▸	NPY1R	P25929	2/20	0.42

▸	NPY2R	P49146	2/20	0.42

▸	NPY4R	P50391	2/20	0.42

▸	NPY5R	Q15761	2/20	0.42

▸	VIPR1	P32241	1/20	0.41

▸	OPRL1	P41146	1/20	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
SCHEMBL31757511	0.96	RXFP1 (0.46)	RXFP1TFPIPTH1RNMT2NMT1
SCHEMBL31757515	0.93	RXFP1 (0.50)	RXFP1TFPIVIPR1OPRL1
SCHEMBL38665602	0.91	PTH1R (0.53)	RXFP1TFPIPTH1RVIPR1
SCHEMBL4086887	0.90	NPY1R (0.40)	RXFP1NPY1RNPY2RNPY4RNPY5R
SCHEMBL4086892	0.90	NPY1R (0.40)	RXFP1NPY1RNPY2RNPY4RNPY5R
SCHEMBL29402150	0.89	NPY4R (0.46)	RXFP1NPY1RNPY2RNPY4RNPY5R
SCHEMBL4082293	0.89	NPY4R (0.41)	NPY1RNPY2RNPY4RNPY5R
SCHEMBL4082284	0.89	NPY4R (0.41)	NPY1RNPY2RNPY4RNPY5R
SCHEMBL29836362	0.88	TFPI (0.52)	RXFP1TFPIPTH1RVIPR1
SCHEMBL30111319	0.88	NPY4R (0.43)	NMT2NMT1NPY1RNPY2RNPY4R

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-110088119-B	Peptides having anticancer activity, and pharmaceutical composition, health functional food composition and functional cosmetic composition containing the same as active ingredient	汉阳大学校产学协力团	2023-08-18	—	—	CN	disclosed