SCHEMBL31258132

N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)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](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O

nearest known ligand 0.64

Predicted protein targets (top 3)

	gene	UniProt	supporting neighbours	confidence
▸	KISS1R	Q969F8	16/20	0.64

▸	UTS2R	Q9UKP6	1/20	0.59

▸	IL23R	Q5VWK5	3/20	0.57

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
SCHEMBL31258204	0.94	UTS2R (0.66)	KISS1RUTS2R
SCHEMBL30530874	0.89	KISS1R (0.79)	KISS1R
SCHEMBL11683502	0.88	IL23R (0.60)	KISS1RIL23R
SCHEMBL11683486	0.88	IL23R (0.60)	KISS1RIL23R
SCHEMBL29641067	0.88	GHSR (0.65)	KISS1RUTS2R
SCHEMBL29641169	0.88	GHSR (0.65)	KISS1RUTS2R
SCHEMBL30169478	0.88	GHSR (0.65)	KISS1RUTS2R
SCHEMBL29641033	0.88	GHSR (0.65)	KISS1RUTS2R
SCHEMBL31710338	0.88	KISS1R (0.64)	KISS1RIL23R
SCHEMBL31277903	0.87	UTS2R (0.64)	KISS1RUTS2R

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