SCHEMBL31464889

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](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=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(N)=O

nearest known ligand 0.66

Predicted protein targets (top 18)

	gene	UniProt	supporting neighbours	confidence
▸	KDM1A	O60341	3/20	0.65

▸	CALCR	P30988	5/20	0.65

▸	CRHR1	P34998	1/20	0.61

▸	CRHR2	Q13324	1/20	0.61

▸	TFPI	P10646	5/20	0.60

▸	APLNR	P35414	1/20	0.60

▸	MAOB	P27338	1/20	0.59

▸	KDM5A	P29375	1/20	0.59

▸	KDM1B	Q8NB78	1/20	0.59

▸	GLP1R	P43220	1/20	0.58

▸	RAMP1	O60894	1/20	0.58

▸	RAMP2	O60895	1/20	0.58

▸	RAMP3	O60896	1/20	0.58

▸	CALCRL	Q16602	1/20	0.58

▸	NPY1R	P25929	1/20	0.56

▸	NPY2R	P49146	1/20	0.56

▸	NPY4R	P50391	1/20	0.56

▸	NPY5R	Q15761	1/20	0.56

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
SCHEMBL31464899	0.97	CALCR (0.69)	KDM1ACALCRCRHR1CRHR2TFPI
SCHEMBL31464902	0.97	CALCR (0.69)	KDM1ACALCRCRHR1CRHR2TFPI
SCHEMBL31504149	0.96	CALCR (0.67)	KDM1ACALCRCRHR1CRHR2TFPI
SCHEMBL31504148	0.96	CALCR (0.66)	KDM1ACALCRCRHR1CRHR2TFPI
SCHEMBL29771868	0.94	CALCR (0.68)	CALCRCRHR1CRHR2APLNRGLP1R
SCHEMBL29771870	0.94	CALCR (0.68)	CALCRCRHR1CRHR2APLNRGLP1R
SCHEMBL29771869	0.94	CALCR (0.68)	CALCRCRHR1CRHR2APLNRGLP1R
SCHEMBL31464901	0.93	KDM1A (0.63)	KDM1ACALCRTFPIAPLNRMAOB
SCHEMBL31504147	0.91	CALCR (0.71)	CALCRCRHR1CRHR2TFPIAPLNR
SCHEMBL30495828	0.89	CALCR (0.74)	CALCRCRHR1CRHR2GLP1RNPY1R

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-119823232-A	STAT3 inhibition polypeptide, anti-tumor drug and application	无锡市人民医院	2025-04-15	—	—	CN	disclosed