SCHEMBL31464899

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](Cc1c[nH]cn1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)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 0.69

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	5/20	0.69

▸	CRHR1	P34998	1/20	0.63

▸	CRHR2	Q13324	1/20	0.63

▸	KDM1A	O60341	3/20	0.62

▸	TFPI	P10646	4/20	0.61

▸	GLP1R	P43220	4/20	0.61

▸	RAMP1	O60894	1/20	0.60

▸	RAMP2	O60895	1/20	0.60

▸	RAMP3	O60896	1/20	0.60

▸	CALCRL	Q16602	1/20	0.60

▸	GCGR	P47871	3/20	0.60

▸	MAOB	P27338	1/20	0.59

▸	KDM5A	P29375	1/20	0.59

▸	KDM1B	Q8NB78	1/20	0.59

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
SCHEMBL31464902	1.00	CALCR (0.69)	CALCRCRHR1CRHR2KDM1ATFPI
SCHEMBL31504149	0.99	CALCR (0.67)	CALCRCRHR1CRHR2KDM1ATFPI
SCHEMBL31504148	0.98	CALCR (0.66)	CALCRCRHR1CRHR2KDM1ATFPI
SCHEMBL31464889	0.97	KDM1A (0.65)	CALCRCRHR1CRHR2KDM1ATFPI
SCHEMBL29771870	0.97	CALCR (0.68)	CALCRCRHR1CRHR2GLP1RGCGR
SCHEMBL29771869	0.97	CALCR (0.68)	CALCRCRHR1CRHR2GLP1RGCGR
SCHEMBL29771868	0.97	CALCR (0.68)	CALCRCRHR1CRHR2GLP1RGCGR
SCHEMBL31504147	0.94	CALCR (0.71)	CALCRCRHR1CRHR2TFPIGLP1R
SCHEMBL31464901	0.91	KDM1A (0.63)	CALCRKDM1ATFPIRAMP1RAMP2
SCHEMBL29868596	0.90	CALCR (0.69)	CALCRKDM1ATFPIGLP1RRAMP1

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