SCHEMBL30598147

CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	MAPK8	P45983	1/20	0.54

▸	MAPK9	P45984	1/20	0.54

▸	MAPK10	P53779	1/20	0.54

▸	F2	P00734	4/20	0.53

▸	CALCR	P30988	5/20	0.52

▸	KEAP1	Q14145	1/20	0.51

▸	HCRTR1	O43613	1/20	0.50

▸	HCRTR2	O43614	1/20	0.50

▸	OPRM1	P35372	1/20	0.48

▸	OPRD1	P41143	1/20	0.48

▸	IL23R	Q5VWK5	1/20	0.48

▸	KDM1A	O60341	1/20	0.47

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
SCHEMBL29706204	0.90	SLC6A2 (0.54)	F2CALCROPRM1OPRD1
SCHEMBL29706275	0.90	SLC6A2 (0.57)	F2CALCROPRM1OPRD1
SCHEMBL29706479	0.90	SLC6A2 (0.57)	F2CALCROPRM1OPRD1
SCHEMBL29706238	0.90	MAPK8 (0.55)	MAPK8MAPK9MAPK10HCRTR1HCRTR2
SCHEMBL29706320	0.85	SLC6A2 (0.52)	F2CALCROPRM1OPRD1
SCHEMBL29706231	0.85	SLC6A2 (0.52)	F2CALCROPRM1OPRD1
SCHEMBL29706227	0.85	SLC6A2 (0.64)	OPRM1OPRD1
SCHEMBL29706298	0.84	SLC6A2 (0.59)	CALCROPRM1OPRD1
SCHEMBL30598155	0.83	MAPK8 (0.54)	MAPK8MAPK9MAPK10CALCRHCRTR1
SCHEMBL30495830	0.81	OPRM1 (0.60)	F2CALCROPRM1OPRD1KDM1A

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
WO-2022111713-A9	POLYPEPTIDE CONTAINING DISULFIDE BONDS AND CAPABLE OF INHIBITING ACTIVITY OF SERINE PROTEASE, DERIVED HYBRID PEPTIDE THEREOF, AND USE THEREOF	中国医学科学院药物研究所	2023-07-27	—	—	WO	disclosed