SCHEMBL30712930

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(C)C)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC

nearest known ligand 0.63

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	C5AR1	P21730	2/20	0.63

▸	NPY1R	P25929	1/20	0.62

▸	NPY2R	P49146	1/20	0.62

▸	NPY4R	P50391	1/20	0.62

▸	NPY5R	Q15761	1/20	0.62

▸	GLP1R	P43220	12/20	0.61

▸	CCKBR	P32239	2/20	0.60

▸	GCGR	P47871	4/20	0.59

▸	KEAP1	Q14145	1/20	0.58

▸	KISS1R	Q969F8	2/20	0.57

▸	GIPR	P48546	1/20	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
SCHEMBL30432119	0.92	NPY1R (0.62)	NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL29965312	0.92	NPY1R (0.68)	C5AR1NPY1RNPY2RNPY4RNPY5R
SCHEMBL31182592	0.92	C5AR1 (0.68)	C5AR1NPY1RNPY2RNPY4RNPY5R
SCHEMBL38663455	0.90	C5AR1 (0.63)	C5AR1NPY1RNPY2RNPY4RNPY5R
SCHEMBL29625335	0.89	NPY1R (0.69)	C5AR1NPY1RNPY2RNPY4RNPY5R
SCHEMBL31182590	0.89	GLP1R (0.68)	C5AR1NPY1RNPY2RNPY4RNPY5R
SCHEMBL29416193	0.89	KEAP1 (0.63)	C5AR1NPY1RNPY2RNPY4RNPY5R
SCHEMBL30607337	0.88	NPY1R (0.66)	C5AR1NPY1RNPY2RNPY4RNPY5R
SCHEMBL29489488	0.88	C5AR1 (0.62)	C5AR1NPY1RNPY2RNPY4RNPY5R
SCHEMBL30646308	0.88	KEAP1 (0.64)	C5AR1NPY1RNPY2RNPY4RNPY5R

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-20240003881-A1	SYSTEM AND METHOD FOR RAPID AND SENSITIVE DETECTION OF ANTI-PATHOGEN ANTIBODIES	THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA)	2024-01-04	—	—	US	disclosed