SCHEMBL30933203

CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)O)C(C)C)[C@@H](C)CC

nearest known ligand 0.64

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	IL23R	Q5VWK5	9/20	0.64

▸	RXFP1	Q9HBX9	1/20	0.62

▸	PTH1R	Q03431	6/20	0.61

▸	GLP1R	P43220	4/20	0.59

▸	GCGR	P47871	1/20	0.59

▸	GIPR	P48546	1/20	0.59

▸	ECE1	P42892	1/20	0.58

▸	MUS81	Q96NY9	1/20	0.58

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
SCHEMBL29706188	0.95	PTH1R (0.67)	IL23RRXFP1PTH1RGLP1RGCGR
SCHEMBL30933208	0.93	PTH1R (0.69)	IL23RRXFP1PTH1RGLP1R
SCHEMBL30431833	0.91	GLP1R (0.65)	RXFP1PTH1RGLP1RGCGRGIPR
SCHEMBL30431773	0.90	PTH1R (0.65)	PTH1RGLP1RGCGRGIPRECE1
SCHEMBL29396018	0.88	IL23R (0.61)	IL23RPTH1R
SCHEMBL30052890	0.87	KISS1R (0.60)	IL23RRXFP1PTH1RGLP1RECE1
SCHEMBL24024100	0.87	KISS1R (0.63)	IL23RRXFP1PTH1R
SCHEMBL31135025	0.87	PTH1R (0.68)	RXFP1PTH1RGLP1R
SCHEMBL30428969	0.87	GLP1R (0.63)	IL23RPTH1RGLP1RGCGRGIPR
SCHEMBL24024085	0.86	RXFP1 (0.65)	IL23RRXFP1PTH1RGLP1R

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-20240197814-A1	MATERIALS AND METHODS FOR THE PREVENTION AND TREATMENT OF VIRAL DISEASES	OAK CREST INSTITUTE OF SCIENCE	2024-06-20	—	—	US	disclosed