SCHEMBL30233222

C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.62

▸	F2	P00734	4/20	0.59

▸	OPRM1	P35372	4/20	0.58

▸	OPRD1	P41143	4/20	0.58

▸	HCRTR1	O43613	1/20	0.56

▸	HCRTR2	O43614	1/20	0.56

▸	MC4R	P32245	1/20	0.54

▸	C5AR1	P21730	1/20	0.54

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
SCHEMBL30233411	0.93	CALCR (0.63)	CALCRF2OPRM1OPRD1HCRTR1
SCHEMBL29843080	0.91	CALCR (0.60)	CALCRF2OPRM1OPRD1HCRTR1
SCHEMBL30233337	0.91	CALCR (0.60)	CALCRF2OPRM1OPRD1HCRTR1
SCHEMBL30233460	0.90	CALCR (0.59)	CALCRF2OPRM1OPRD1HCRTR1
SCHEMBL30233281	0.90	C5AR1 (0.63)	CALCRF2HCRTR1HCRTR2MC4R
SCHEMBL30233179	0.89	CXCR4 (0.57)	CALCRMC4RC5AR1
SCHEMBL29842938	0.89	CALCR (0.58)	CALCRF2OPRM1OPRD1HCRTR1
SCHEMBL30607475	0.89	CALCR (0.69)	CALCRF2OPRM1OPRD1HCRTR1
SCHEMBL30233449	0.89	CALCR (0.58)	CALCRF2OPRM1OPRD1C5AR1
SCHEMBL30788340	0.88	F2 (0.59)	CALCRF2HCRTR1HCRTR2

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