SCHEMBL30512732

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

nearest known ligand 0.50

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	CRHR1	P34998	1/20	0.50

▸	CRHR2	Q13324	1/20	0.50

▸	CALCR	P30988	3/20	0.49

▸	TLR2	O60603	4/20	0.47

▸	PTH1R	Q03431	6/20	0.46

▸	BACE1	P56817	1/20	0.46

▸	APLNR	P35414	1/20	0.44

▸	F2	P00734	1/20	0.43

▸	GRIN2D	O15399	1/20	0.43

▸	GRIN3B	O60391	1/20	0.43

▸	GRIN1	Q05586	1/20	0.43

▸	GRIN2A	Q12879	1/20	0.43

▸	GRIN2B	Q13224	1/20	0.43

▸	GRIN2C	Q14957	1/20	0.43

▸	GRIN3A	Q8TCU5	1/20	0.43

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
SCHEMBL30136427	0.88	PTH1R (0.55)	CRHR1CRHR2CALCRPTH1RF2
SCHEMBL30432541	0.86	GLP1R (0.52)	CRHR1CRHR2CALCR
SCHEMBL31066782	0.86	BACE1 (0.48)	CRHR1CRHR2CALCRBACE1F2
SCHEMBL29407403	0.86	PTH1R (0.59)	CRHR1CRHR2CALCRPTH1RBACE1
SCHEMBL30136490	0.86	PTH1R (0.59)	CRHR1CRHR2CALCRPTH1R
SCHEMBL31303964	0.86	PTH1R (0.59)	CRHR1CRHR2CALCRPTH1RF2
SCHEMBL29811046	0.86	CALCR (0.58)	CRHR1CRHR2CALCRBACE1
SCHEMBL30433042	0.85	CCNA2 (0.46)	F2
SCHEMBL30512623	0.85	PTH1R (0.50)	CALCRPTH1RAPLNR
SCHEMBL30512620	0.85	BACE1 (0.46)	CRHR1CRHR2CALCRTLR2PTH1R

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-116490215-A	Targeted mediated endocytic drug delivery	CRM医疗有限公司	2023-07-25	—	—	CN	disclosed