SCHEMBL29903290

CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	CALCRL	Q16602	3/20	0.57

▸	SLC6A2	P23975	1/20	0.54

▸	CALCR	P30988	4/20	0.53

▸	AGTR2	P50052	3/20	0.53

▸	AGTR1	P30556	2/20	0.53

▸	RAMP1	O60894	1/20	0.52

▸	BACE1	P56817	1/20	0.52

▸	BACE2	Q9Y5Z0	1/20	0.52

▸	KEAP1	Q14145	1/20	0.51

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
SCHEMBL29698518	0.89	CALCRL (0.62)	CALCRLSLC6A2CALCRRAMP1KEAP1
SCHEMBL30974423	0.89	NTSR1 (0.58)	CALCRLBACE1BACE2
SCHEMBL30327462	0.89	SLC6A2 (0.59)	CALCRLSLC6A2
SCHEMBL30327395	0.88	SLC6A2 (0.55)	CALCRLSLC6A2CALCR
SCHEMBL30974574	0.87	CALCRL (0.61)	CALCRLCALCR
SCHEMBL30974385	0.87	CALCRL (0.59)	CALCRLSLC6A2
SCHEMBL29679507	0.87	SLC6A2 (0.61)	CALCRLSLC6A2AGTR2AGTR1
SCHEMBL31656525	0.86	GLP1R (0.56)	CALCR
SCHEMBL29679909	0.86	NPY2R (0.56)	CALCRLAGTR2AGTR1
SCHEMBL30327364	0.86	OPRM1 (0.54)	SLC6A2CALCR

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-107325188-B	Construction method and application of CHO cell strain of porcine serum protein fused with porcine circovirus Cap2 protein	唐山怡安生物工程有限公司	2022-08-23	—	—	CN	disclosed