SCHEMBL29463758

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)O)[C@@H](C)O

nearest known ligand 0.57

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	5/20	0.57

▸	CRHR1	P34998	1/20	0.53

▸	CRHR2	Q13324	1/20	0.53

▸	GLP1R	P43220	4/20	0.50

▸	BACE1	P56817	1/20	0.49

▸	F2	P00734	4/20	0.48

▸	HCRTR1	O43613	1/20	0.47

▸	HCRTR2	O43614	1/20	0.47

▸	KEAP1	Q14145	1/20	0.47

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
SCHEMBL29720268	0.89	CALCR (0.59)	CALCRCRHR1CRHR2GLP1RBACE1
SCHEMBL30512584	0.88	BACE1 (0.51)	CALCRGLP1RBACE1F2HCRTR1
SCHEMBL29545883	0.87	CRHR1 (0.58)	CALCRCRHR1CRHR2GLP1RBACE1
SCHEMBL30607339	0.86	CRHR1 (0.63)	CALCRCRHR1CRHR2GLP1RF2
SCHEMBL31307253	0.86	CRHR1 (0.49)	CALCRCRHR1CRHR2GLP1RBACE1
SCHEMBL30445513	0.85	CALCR (0.45)	CALCRCRHR1CRHR2BACE1
SCHEMBL29496487	0.85	F2 (0.53)	CALCRGLP1RBACE1F2HCRTR1
SCHEMBL30445684	0.85	GLP1R (0.44)	CALCRGLP1RBACE1F2HCRTR1
SCHEMBL30102559	0.84	CALCR (0.56)	CALCRGLP1RHCRTR1HCRTR2
SCHEMBL30087233	0.84	CALCR (0.47)	CALCRCRHR1CRHR2GLP1RBACE1

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-111206017-B	Serum-free culture medium for stem cells and application thereof	浙江大学	2022-02-18	—	—	CN	claimed