SCHEMBL31575697

CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CALCRL	Q16602	6/20	0.63

▸	RAMP1	O60894	1/20	0.57

▸	OPRK1	P41145	3/20	0.55

▸	OPRM1	P35372	2/20	0.55

▸	OPRD1	P41143	2/20	0.55

▸	KEAP1	Q14145	1/20	0.54

▸	BACE1	P56817	1/20	0.53

▸	MAPK8	P45983	1/20	0.52

▸	MAPK9	P45984	1/20	0.52

▸	MAPK10	P53779	1/20	0.52

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
SCHEMBL30974517	0.91	BACE1 (0.57)	CALCRLOPRK1OPRM1OPRD1BACE1
SCHEMBL30974463	0.91	CALCRL (0.55)	CALCRLRAMP1OPRK1BACE1
SCHEMBL30974520	0.90	BACE1 (0.58)	CALCRLOPRK1OPRM1OPRD1BACE1
SCHEMBL30974385	0.90	CALCRL (0.59)	CALCRLOPRK1OPRM1OPRD1
SCHEMBL30242217	0.89	CALCRL (0.57)	CALCRLRAMP1OPRK1OPRM1OPRD1
SCHEMBL31005072	0.89	OPRD1 (0.60)	OPRK1OPRM1OPRD1
SCHEMBL31415946	0.88	SLC6A2 (0.63)	CALCRLRAMP1OPRK1OPRM1OPRD1
SCHEMBL30974357	0.88	NTSR1 (0.57)	CALCRLOPRK1OPRM1OPRD1
SCHEMBL30974476	0.88	NMUR2 (0.56)	CALCRLOPRK1OPRM1OPRD1BACE1
SCHEMBL30974098	0.88	NPY2R (0.57)	OPRK1OPRM1OPRD1

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-120019812-A	Artificial toad venom composition and application thereof	南京中医药大学	2025-05-20	—	—	CN	claimed
CN-120019812-A	Artificial toad venom composition and application thereof	南京中医药大学	2025-05-20	—	—	CN	disclosed