SCHEMBL30233470

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](N)CCC(=O)O)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	C5AR1	P21730	1/20	0.61

▸	MC4R	P32245	1/20	0.58

▸	CXCR4	P61073	3/20	0.57

▸	CALCR	P30988	4/20	0.57

▸	TFPI	P10646	4/20	0.55

▸	HCRTR1	O43613	1/20	0.54

▸	HCRTR2	O43614	1/20	0.54

▸	NPY1R	P25929	1/20	0.53

▸	NPY2R	P49146	1/20	0.53

▸	NPY4R	P50391	1/20	0.53

▸	NPY5R	Q15761	1/20	0.53

▸	F2	P00734	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
SCHEMBL30233814	0.97	C5AR1 (0.63)	C5AR1MC4RCXCR4CALCRTFPI
SCHEMBL29843005	0.95	C5AR1 (0.58)	C5AR1MC4RCXCR4CALCRF2
SCHEMBL30233281	0.94	C5AR1 (0.63)	C5AR1MC4RCXCR4CALCRHCRTR1
SCHEMBL29843099	0.91	C5AR1 (0.58)	C5AR1MC4RCXCR4CALCRTFPI
SCHEMBL30233422	0.91	C5AR1 (0.58)	C5AR1CXCR4CALCRF2
SCHEMBL30753760	0.91	C5AR1 (0.64)	C5AR1MC4RCXCR4CALCR
SCHEMBL30788357	0.90	TFPI (0.59)	C5AR1MC4RCXCR4CALCRTFPI
SCHEMBL29843080	0.90	CALCR (0.60)	C5AR1MC4RCXCR4CALCRHCRTR1
SCHEMBL30753758	0.89	C5AR1 (0.63)	C5AR1MC4RCALCRTFPINPY1R
SCHEMBL30788353	0.89	CALCR (0.60)	C5AR1CXCR4CALCRHCRTR1HCRTR2

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