SCHEMBL29771867

CC[C@H](C)[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](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1cccnc1)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCSC)C(=O)O)[C@@H](C)CC)C(C)C

nearest known ligand 0.68

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.67

▸	GLP1R	P43220	6/20	0.63

▸	CRHR1	P34998	1/20	0.61

▸	CRHR2	Q13324	1/20	0.61

▸	APLNR	P35414	1/20	0.60

▸	GCGR	P47871	3/20	0.59

▸	NPY2R	P49146	4/20	0.59

▸	NPY4R	P50391	4/20	0.59

▸	NPY5R	Q15761	4/20	0.59

▸	NPY1R	P25929	3/20	0.59

▸	TFPI	P10646	1/20	0.59

▸	C5AR1	P21730	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
SCHEMBL31504147	0.93	CALCR (0.71)	CALCRGLP1RCRHR1CRHR2APLNR
SCHEMBL29771869	0.92	CALCR (0.68)	CALCRGLP1RCRHR1CRHR2APLNR
SCHEMBL29771870	0.92	CALCR (0.68)	CALCRGLP1RCRHR1CRHR2APLNR
SCHEMBL29771868	0.92	CALCR (0.68)	CALCRGLP1RCRHR1CRHR2APLNR
SCHEMBL31464910	0.91	CALCR (0.71)	CALCRGLP1RCRHR1CRHR2APLNR
SCHEMBL31182545	0.90	CALCR (0.75)	CALCRGLP1RCRHR1CRHR2APLNR
SCHEMBL31504149	0.89	CALCR (0.67)	CALCRGLP1RCRHR1CRHR2APLNR
SCHEMBL31464899	0.89	CALCR (0.69)	CALCRGLP1RCRHR1CRHR2GCGR
SCHEMBL31464902	0.89	CALCR (0.69)	CALCRGLP1RCRHR1CRHR2GCGR
SCHEMBL29416142	0.88	CALCR (0.72)	CALCRGLP1RCRHR1CRHR2NPY2R

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