SCHEMBL30233133

C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](CS)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O

nearest known ligand 0.54

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	OPRM1	P35372	4/20	0.53

▸	OPRD1	P41143	4/20	0.53

▸	CALCR	P30988	5/20	0.50

▸	HCRTR1	O43613	1/20	0.49

▸	HCRTR2	O43614	1/20	0.49

▸	NMUR2	Q9GZQ4	2/20	0.49

▸	NMUR1	Q9HB89	2/20	0.49

▸	RAMP3	O60896	1/20	0.48

▸	CXCR4	P61073	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
SCHEMBL30061229	0.91	OPRM1 (0.56)	OPRM1OPRD1CALCRNMUR2NMUR1
SCHEMBL30233254	0.85	OPRD1 (0.61)	OPRM1OPRD1CALCRNMUR2NMUR1
SCHEMBL31404126	0.85	SLC6A2 (0.57)	OPRM1OPRD1
SCHEMBL30353299	0.84	SLC6A2 (0.55)	OPRM1OPRD1CALCRRAMP3
SCHEMBL30607374	0.84	CALCR (0.58)	OPRM1OPRD1CALCRHCRTR1HCRTR2
SCHEMBL30753761	0.83	OPRD1 (0.61)	OPRM1OPRD1CALCRNMUR2NMUR1
SCHEMBL30163225	0.83	KEAP1 (0.54)	OPRM1OPRD1CALCRHCRTR1HCRTR2
SCHEMBL16352049	0.83	KEAP1 (0.54)	OPRM1OPRD1CALCRHCRTR1HCRTR2
SCHEMBL14549930	0.83	OPRM1 (0.55)	OPRM1OPRD1CALCRHCRTR1HCRTR2
SCHEMBL15130591	0.83	OPRM1 (0.55)	OPRM1OPRD1CALCRHCRTR1HCRTR2

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
CN-115702161-A	Peptide compositions and methods for inhibiting nicotinic acetylcholine receptor activity	格罗制药公司	2023-02-14	—	—	CN	disclosed