SCHEMBL31258238

CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(C)C)C(N)=O

nearest known ligand 0.57

Predicted protein targets (top 2)

	gene	UniProt	supporting neighbours	confidence
▸	KISS1R	Q969F8	19/20	0.57

▸	OPRD1	P41143	1/20	0.53

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
SCHEMBL31409437	0.95	KISS1R (0.59)	KISS1ROPRD1
SCHEMBL31409435	0.95	KISS1R (0.59)	KISS1ROPRD1
SCHEMBL30880909	0.87	KISS1R (0.60)	KISS1ROPRD1
SCHEMBL29798074	0.86	OPRK1 (0.58)	KISS1R
SCHEMBL30799397	0.86	OPRK1 (0.56)	KISS1R
SCHEMBL29798016	0.86	BACE1 (0.61)	KISS1R
SCHEMBL29798029	0.84	BACE1 (0.59)	—
SCHEMBL30769622	0.84	OPRK1 (0.56)	KISS1ROPRD1
SCHEMBL29679940	0.83	BACE1 (0.52)	KISS1R
SCHEMBL29798264	0.83	BACE1 (0.64)	—

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-119039392-A	Barley pest defensin source reconstruction antibacterial peptide and application thereof	中国农业大学	2024-11-29	—	—	CN	disclosed