SCHEMBL30199068

CSCC[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC(=O)O)[C@@H](C)O)C(C)C)[C@@H](C)O

nearest known ligand 0.72

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.65

▸	OPRM1	P35372	2/20	0.61

▸	OPRD1	P41143	2/20	0.61

▸	OPRK1	P41145	2/20	0.61

▸	CRHR1	P34998	1/20	0.60

▸	CRHR2	Q13324	1/20	0.60

▸	NPY2R	P49146	7/20	0.58

▸	NPY4R	P50391	7/20	0.58

▸	NPY5R	Q15761	7/20	0.58

▸	NPY1R	P25929	5/20	0.58

▸	TFPI	P10646	1/20	0.57

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
SCHEMBL11652679	0.91	CALCR (0.65)	CALCROPRM1OPRD1OPRK1CRHR1
SCHEMBL11651841	0.91	CALCR (0.65)	CALCROPRM1OPRD1OPRK1CRHR1
SCHEMBL11667794	0.91	CALCR (0.64)	CALCROPRM1OPRD1OPRK1CRHR1
SCHEMBL11664809	0.90	CALCR (0.63)	CALCROPRM1OPRD1OPRK1CRHR1
SCHEMBL31182993	0.90	OPRM1 (0.65)	CALCROPRM1OPRD1OPRK1NPY2R
SCHEMBL11598563	0.89	CALCR (0.71)	CALCROPRM1OPRD1OPRK1CRHR1
SCHEMBL11658979	0.89	CALCR (0.66)	CALCROPRM1OPRD1OPRK1CRHR1
SCHEMBL11662077	0.89	CALCR (0.67)	CALCROPRM1OPRD1OPRK1CRHR1
SCHEMBL11667808	0.89	CALCR (0.63)	CALCROPRM1OPRD1OPRK1CRHR1
SCHEMBL11652700	0.89	CALCR (0.64)	CALCROPRM1OPRD1OPRK1CRHR1

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
US-20230116689-A1	METHODS AND BIOLOGICAL SYSTEMS FOR DISCOVERING AND OPTIMIZING LASSO PEPTIDES	LASSOGEN, INC.	2023-04-13	—	—	US	disclosed
EP-4121547-A1	METHODS AND BIOLOGICAL SYSTEMS FOR DISCOVERING AND OPTIMIZING LASSO PEPTIDES	Lassogen, Inc. (US)	2023-01-25	—	—	EP	disclosed