SCHEMBL29657941

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

nearest known ligand 0.57

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	CALCRL	Q16602	5/20	0.57

▸	SLC6A2	P23975	1/20	0.56

▸	RAMP1	O60894	1/20	0.54

▸	OPRM1	P35372	4/20	0.48

▸	OPRD1	P41143	4/20	0.48

▸	OPRK1	P41145	3/20	0.48

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
SCHEMBL29657958	0.94	CALCRL (0.56)	CALCRLSLC6A2RAMP1OPRM1OPRD1
SCHEMBL29657973	0.88	SLC6A2 (0.60)	CALCRLSLC6A2OPRM1OPRD1OPRK1
SCHEMBL29531383	0.84	SLC6A2 (0.71)	CALCRLSLC6A2OPRM1OPRD1
SCHEMBL31233755	0.83	SLC6A2 (0.64)	CALCRLSLC6A2OPRM1OPRD1
SCHEMBL29580098	0.83	SLC6A2 (0.64)	CALCRLSLC6A2RAMP1OPRM1OPRD1
SCHEMBL29657990	0.82	SLC6A2 (0.59)	CALCRLSLC6A2OPRM1OPRD1OPRK1
SCHEMBL29449529	0.81	CALCRL (0.56)	CALCRLSLC6A2RAMP1OPRM1OPRD1
SCHEMBL14865143	0.81	OPRD1 (0.52)	SLC6A2OPRM1OPRD1OPRK1
SCHEMBL31233779	0.80	SLC6A2 (0.66)	CALCRLSLC6A2OPRM1OPRD1
SCHEMBL29576682	0.80	CALCRL (0.57)	CALCRLSLC6A2RAMP1OPRK1

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-114480534-B	Protein semisynthesis by chemoenzymatic methods based on transpeptidase	清华大学	2024-02-13	—	—	CN	disclosed
CN-114480534-A	Protein semi-synthesis based on chemical enzymatic methods of transpeptidase	清华大学	2022-05-13	—	—	CN	disclosed