SCHEMBL29377908

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

nearest known ligand 0.63

Predicted protein targets (top 15)

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

▸	CALCR	P30988	4/20	0.62

▸	APLNR	P35414	1/20	0.59

▸	F2	P00734	4/20	0.56

▸	AGTR1	P30556	1/20	0.56

▸	AGTR2	P50052	1/20	0.56

▸	EPHA2	P29317	2/20	0.55

▸	GLP1R	P43220	1/20	0.55

▸	NPY1R	P25929	1/20	0.54

▸	NPY2R	P49146	1/20	0.54

▸	NPY4R	P50391	1/20	0.54

▸	NPY5R	Q15761	1/20	0.54

▸	CRHR1	P34998	1/20	0.53

▸	CRHR2	Q13324	1/20	0.53

▸	KDM1A	O60341	1/20	0.53

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
SCHEMBL29761728	0.96	CALCR (0.61)	C5AR1CALCRAPLNRF2EPHA2
SCHEMBL31691539	0.91	APLNR (0.61)	C5AR1CALCRAPLNRF2AGTR1
SCHEMBL29973760	0.90	AGTR2 (0.63)	C5AR1APLNRF2AGTR1AGTR2
SCHEMBL29569693	0.90	AGTR1 (0.62)	C5AR1CALCRAPLNRF2AGTR1
SCHEMBL31691514	0.90	APLNR (0.62)	C5AR1CALCRAPLNRF2GLP1R
Angiotensin Ii SCHEMBL22125774	0.89	AGTR2 (0.69)	C5AR1APLNRF2AGTR1AGTR2
Angiotensin Ii SCHEMBL29757879	0.89	AGTR2 (0.69)	C5AR1APLNRF2AGTR1AGTR2
Angiotensin Ii SCHEMBL9013957	0.89	AGTR2 (0.69)	C5AR1APLNRF2AGTR1AGTR2
Angiotensin Ii SCHEMBL9013950	0.89	AGTR2 (0.69)	C5AR1APLNRF2AGTR1AGTR2
SCHEMBL30445863	0.89	AGTR2 (0.69)	C5AR1APLNRF2AGTR1AGTR2

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
CN-114010788-A	Channel modulators	奥克兰联合服务有限公司	2022-02-08	—	—	CN	disclosed