SCHEMBL30648485

CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.67

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	6/20	0.66

▸	EP300	Q09472	1/20	0.60

▸	HIF1A	Q16665	1/20	0.60

▸	F2	P00734	4/20	0.59

▸	HCRTR1	O43613	1/20	0.59

▸	HCRTR2	O43614	1/20	0.59

▸	MAPK8	P45983	1/20	0.57

▸	MAPK9	P45984	1/20	0.57

▸	MAPK10	P53779	1/20	0.57

▸	CRHR1	P34998	1/20	0.57

▸	CRHR2	Q13324	1/20	0.57

▸	RAMP3	O60896	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
SCHEMBL31000946	0.95	CALCR (0.64)	CALCREP300HIF1AF2HCRTR1
SCHEMBL30277935	0.91	CALCR (0.61)	CALCREP300HIF1AF2HCRTR1
SCHEMBL30906453	0.91	CALCR (0.61)	CALCREP300HIF1AHCRTR1HCRTR2
SCHEMBL31000870	0.91	MAPK8 (0.67)	CALCREP300HIF1AMAPK8MAPK9
SCHEMBL30495733	0.91	EP300 (0.66)	CALCREP300HIF1AF2CRHR1
SCHEMBL31000872	0.90	CALCR (0.60)	CALCREP300HIF1AF2HCRTR1
SCHEMBL30567772	0.90	CALCR (0.74)	CALCRF2HCRTR1HCRTR2CRHR1
SCHEMBL30712880	0.90	CALCR (0.61)	CALCREP300HIF1AF2HCRTR1
SCHEMBL30648466	0.89	CALCR (0.59)	CALCRHCRTR1HCRTR2MAPK8MAPK9
SCHEMBL30648463	0.89	EP300 (0.64)	CALCREP300HIF1ARAMP3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-116948034-B	Active type heterophagy antibody blocker Block-5S and preparation method thereof	南京珀尔泰生物技术有限公司	2024-06-25	—	—	CN	disclosed
CN-116948034-A	Active type heterophagy antibody blocker Block-5S and preparation method thereof	南京珀尔泰生物技术有限公司	2023-10-27	—	—	CN	disclosed