SCHEMBL31141444

CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O

nearest known ligand 0.70

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	NPBWR1	P48145	2/20	0.70

▸	KISS1R	Q969F8	15/20	0.67

▸	GHSR	Q92847	2/20	0.66

▸	NPY2R	P49146	1/20	0.66

▸	IL23R	Q5VWK5	1/20	0.65

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
SCHEMBL31141456	0.98	KISS1R (0.70)	NPBWR1KISS1R
SCHEMBL31141454	0.96	KISS1R (0.73)	NPBWR1KISS1R
SCHEMBL31141468	0.96	KISS1R (0.73)	NPBWR1KISS1R
SCHEMBL30530852	0.93	KISS1R (0.77)	KISS1R
SCHEMBL17345398	0.93	KISS1R (0.77)	KISS1R
Kisspeptin-10 SCHEMBL15930211	0.93	KISS1R (0.77)	KISS1R
SCHEMBL29379050	0.93	KISS1R (0.77)	KISS1R
Kisspeptin-10 SCHEMBL29376534	0.93	KISS1R (0.77)	KISS1R
Kisspeptin-10 SCHEMBL20865531	0.93	KISS1R (0.77)	KISS1R
SCHEMBL31141446	0.92	KISS1R (0.69)	NPBWR1KISS1RIL23R

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
WO-2024206577-A1	KISSPEPTIN RECEPTOR (KISS1R) TARGETED THERAPEUTICS AND USES THEREOF	RADIONETICS ONCOLOGY, INC. (US)	2024-10-03	—	—	WO	claimed
WO-2024206577-A1	KISSPEPTIN RECEPTOR (KISS1R) TARGETED THERAPEUTICS AND USES THEREOF	RADIONETICS ONCOLOGY, INC. (US)	2024-10-03	—	—	WO	disclosed