SCHEMBL30087233

CC[C@H](C)[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC

nearest known ligand 0.47

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	5/20	0.47

▸	BACE1	P56817	2/20	0.46

▸	CRHR1	P34998	1/20	0.45

▸	CRHR2	Q13324	1/20	0.45

▸	KEAP1	Q14145	1/20	0.41

▸	APLNR	P35414	1/20	0.39

▸	HCRTR1	O43613	1/20	0.39

▸	HCRTR2	O43614	1/20	0.39

▸	TLR2	O60603	3/20	0.39

▸	GLP1R	P43220	1/20	0.39

▸	MAGI3	Q5TCQ9	1/20	0.38

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
SCHEMBL31307253	0.89	CRHR1 (0.49)	CALCRBACE1CRHR1CRHR2KEAP1
SCHEMBL29463758	0.84	CALCR (0.57)	CALCRBACE1CRHR1CRHR2KEAP1
SCHEMBL29811046	0.84	CALCR (0.58)	CALCRBACE1CRHR1CRHR2HCRTR1
SCHEMBL30554853	0.83	BACE1 (0.46)	CALCRBACE1GLP1RMAGI3
SCHEMBL30554861	0.83	MAGI3 (0.44)	BACE1CRHR1CRHR2GLP1RMAGI3
SCHEMBL29416096	0.83	APLNR (0.50)	CALCRBACE1CRHR1CRHR2APLNR
SCHEMBL30262090	0.82	BACE1 (0.47)	CALCRBACE1HCRTR1HCRTR2
SCHEMBL8978166	0.81	HCRTR1 (0.46)	CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL30445513	0.81	CALCR (0.45)	CALCRBACE1CRHR1CRHR2APLNR
SCHEMBL30831910	0.81	BACE1 (0.45)	BACE1GLP1RMAGI3

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-11512112-B2	Peptide for suppressing osteoclast differentiation and use thereof	CAREGEN CO., LTD. (KR)	2022-11-29	—	—	US	disclosed