SCHEMBL30717268

CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	C5AR1	P21730	2/20	0.65

▸	GLP1R	P43220	11/20	0.63

▸	APLNR	P35414	2/20	0.61

▸	GCGR	P47871	8/20	0.60

▸	GIPR	P48546	5/20	0.60

▸	CXCR4	P61073	1/20	0.60

▸	PTH1R	Q03431	2/20	0.60

▸	KEAP1	Q14145	1/20	0.59

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
SCHEMBL30894433	0.96	APLNR (0.60)	C5AR1GLP1RAPLNRGCGRGIPR
SCHEMBL30262010	0.92	CTSL (0.64)	C5AR1GLP1RAPLNRGCGRGIPR
SCHEMBL31006727	0.91	C5AR1 (0.68)	C5AR1GLP1RAPLNRGCGRGIPR
SCHEMBL30436302	0.91	GLP1R (0.67)	C5AR1GLP1RGCGRPTH1RKEAP1
SCHEMBL31182586	0.90	GLP1R (0.70)	C5AR1GLP1RGCGRGIPRKEAP1
SCHEMBL31182539	0.90	NPY1R (0.68)	C5AR1GLP1RGCGRGIPRCXCR4
SCHEMBL30798119	0.89	CTSL (0.60)	C5AR1GLP1RAPLNRGCGRGIPR
SCHEMBL31182802	0.89	KEAP1 (0.66)	C5AR1GLP1RGCGRGIPRKEAP1
SCHEMBL29509248	0.89	KEAP1 (0.64)	C5AR1GLP1RGCGRGIPRCXCR4
SCHEMBL30432727	0.89	APLNR (0.63)	C5AR1GLP1RAPLNRGCGRGIPR

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
CN-117309847-B	Trinitrotoluene detection sensor based on magnetic core-shell nanospheres	成都理工大学	2024-01-26	—	—	CN	disclosed
CN-117309847-A	Trinitrotoluene detection sensor based on magnetic core-shell nanospheres	成都理工大学	2023-12-29	—	—	CN	disclosed