SCHEMBL30233179

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](CC(N)=O)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	4/20	0.57

▸	MC4R	P32245	1/20	0.56

▸	C5AR1	P21730	1/20	0.56

▸	CALCR	P30988	4/20	0.56

▸	APLNR	P35414	3/20	0.55

▸	MAPK8	P45983	1/20	0.54

▸	MAPK9	P45984	1/20	0.54

▸	MAPK10	P53779	1/20	0.54

▸	CTSL	P07711	2/20	0.53

▸	CTSS	P25774	2/20	0.53

▸	CTSK	P43235	2/20	0.53

▸	CTSH	P09668	1/20	0.52

▸	NMUR2	Q9GZQ4	1/20	0.52

▸	NMUR1	Q9HB89	1/20	0.52

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
SCHEMBL30233748	0.97	C5AR1 (0.59)	CXCR4MC4RC5AR1CALCRAPLNR
SCHEMBL30233281	0.92	C5AR1 (0.63)	CXCR4MC4RC5AR1CALCRAPLNR
SCHEMBL29843099	0.91	C5AR1 (0.58)	CXCR4MC4RC5AR1CALCRAPLNR
SCHEMBL30233337	0.90	CALCR (0.60)	CXCR4C5AR1CALCRAPLNR
SCHEMBL30233222	0.89	CALCR (0.62)	MC4RC5AR1CALCR
SCHEMBL29843080	0.89	CALCR (0.60)	CXCR4MC4RC5AR1CALCR
SCHEMBL30233814	0.89	C5AR1 (0.63)	CXCR4MC4RC5AR1CALCR
SCHEMBL30753760	0.88	C5AR1 (0.64)	CXCR4MC4RC5AR1CALCRAPLNR
SCHEMBL30233449	0.88	CALCR (0.58)	C5AR1CALCRAPLNR
SCHEMBL30233448	0.88	C5AR1 (0.60)	CXCR4MC4RC5AR1CALCRAPLNR

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