SCHEMBL30233748

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](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	C5AR1	P21730	1/20	0.59

▸	CXCR4	P61073	6/20	0.58

▸	APLNR	P35414	4/20	0.58

▸	CALCR	P30988	4/20	0.57

▸	MC4R	P32245	1/20	0.55

▸	NMUR2	Q9GZQ4	1/20	0.53

▸	NMUR1	Q9HB89	1/20	0.53

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
SCHEMBL30233179	0.97	CXCR4 (0.57)	C5AR1CXCR4APLNRCALCRMC4R
SCHEMBL30233281	0.93	C5AR1 (0.63)	C5AR1CXCR4APLNRCALCRMC4R
SCHEMBL30233337	0.92	CALCR (0.60)	C5AR1CXCR4APLNRCALCR
SCHEMBL29843099	0.92	C5AR1 (0.58)	C5AR1CXCR4APLNRCALCRMC4R
SCHEMBL30233449	0.91	CALCR (0.58)	C5AR1APLNRCALCR
SCHEMBL30753760	0.91	C5AR1 (0.64)	C5AR1CXCR4APLNRCALCRMC4R
SCHEMBL30233448	0.91	C5AR1 (0.60)	C5AR1CXCR4APLNRCALCRMC4R
SCHEMBL29843080	0.90	CALCR (0.60)	C5AR1CXCR4CALCRMC4R
SCHEMBL30233565	0.89	C5AR1 (0.59)	C5AR1CXCR4APLNRCALCRMC4R
SCHEMBL29842938	0.89	CALCR (0.58)	C5AR1APLNRCALCRMC4R

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