SCHEMBL29771868

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1)C(C)C)[C@@H](C)CC)C(C)C)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	5/20	0.68

▸	GLP1R	P43220	4/20	0.63

▸	APLNR	P35414	2/20	0.62

▸	CRHR1	P34998	1/20	0.60

▸	CRHR2	Q13324	1/20	0.60

▸	F2	P00734	4/20	0.60

▸	GCGR	P47871	3/20	0.58

▸	NPY1R	P25929	1/20	0.58

▸	NPY2R	P49146	1/20	0.58

▸	NPY4R	P50391	1/20	0.58

▸	NPY5R	Q15761	1/20	0.58

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
SCHEMBL29771870	1.00	CALCR (0.68)	CALCRGLP1RAPLNRCRHR1CRHR2
SCHEMBL29771869	1.00	CALCR (0.68)	CALCRGLP1RAPLNRCRHR1CRHR2
SCHEMBL31504149	0.97	CALCR (0.67)	CALCRGLP1RAPLNRCRHR1CRHR2
SCHEMBL31464899	0.97	CALCR (0.69)	CALCRGLP1RCRHR1CRHR2GCGR
SCHEMBL31464902	0.97	CALCR (0.69)	CALCRGLP1RCRHR1CRHR2GCGR
SCHEMBL31504148	0.96	CALCR (0.66)	CALCRGLP1RAPLNRCRHR1CRHR2
SCHEMBL31464889	0.94	KDM1A (0.65)	CALCRGLP1RAPLNRCRHR1CRHR2
SCHEMBL31504147	0.93	CALCR (0.71)	CALCRGLP1RAPLNRCRHR1CRHR2
SCHEMBL31464910	0.92	CALCR (0.71)	CALCRGLP1RAPLNRCRHR1CRHR2
SCHEMBL29771867	0.92	CALCR (0.67)	CALCRGLP1RAPLNRCRHR1CRHR2

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-112521459-B	STAT3 inhibitory polypeptide and preparation method and application thereof	无锡市人民医院	2022-08-30	—	—	CN	disclosed