SCHEMBL30839204

CC(C)C[C@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	GNRHR	P30968	1/20	0.64

▸	ABCC2	Q92887	1/20	0.64

▸	PTGS1	P23219	1/20	0.64

▸	C5AR1	P21730	2/20	0.63

▸	APLNR	P35414	5/20	0.58

▸	CXCR4	P61073	3/20	0.57

▸	MC4R	P32245	2/20	0.54

▸	MC5R	P33032	1/20	0.54

▸	MC3R	P41968	1/20	0.54

▸	MC1R	Q01726	1/20	0.54

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
SCHEMBL29425251	1.00	GNRHR (0.64)	GNRHRABCC2PTGS1C5AR1APLNR
SCHEMBL31733948	0.97	GNRHR (0.67)	GNRHRABCC2PTGS1C5AR1APLNR
SCHEMBL29857994	0.97	GNRHR (0.67)	GNRHRABCC2PTGS1C5AR1APLNR
SCHEMBL30198868	0.97	GNRHR (0.66)	GNRHRABCC2PTGS1C5AR1APLNR
SCHEMBL31135225	0.96	C5AR1 (0.64)	GNRHRABCC2PTGS1C5AR1APLNR
SCHEMBL29425250	0.96	GNRHR (0.70)	GNRHRABCC2PTGS1C5AR1APLNR
SCHEMBL30665146	0.95	GNRHR (0.65)	GNRHRABCC2PTGS1C5AR1APLNR
SCHEMBL30773556	0.95	PTGS1 (0.71)	GNRHRABCC2PTGS1C5AR1APLNR
SCHEMBL30839205	0.95	GNRHR (0.64)	GNRHRABCC2PTGS1C5AR1APLNR
SCHEMBL6512254	0.95	PTGS1 (0.71)	GNRHRABCC2PTGS1C5AR1APLNR

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
US-20240082409-A1	Modified peptide ligands for stable delivery of highly potent payloads to tumors: Method of making and using same	LAMHARZI NAJIB (US)	2024-03-14	—	—	US	disclosed