SCHEMBL30233448

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)CN)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	C5AR1	P21730	2/20	0.60

▸	APLNR	P35414	2/20	0.56

▸	CXCR4	P61073	2/20	0.54

▸	CALCR	P30988	5/20	0.54

▸	MC4R	P32245	1/20	0.54

▸	NMUR2	Q9GZQ4	2/20	0.53

▸	NMUR1	Q9HB89	2/20	0.53

▸	RAMP3	O60896	1/20	0.53

▸	EPHA2	P29317	1/20	0.52

▸	HCRTR1	O43613	1/20	0.52

▸	HCRTR2	O43614	1/20	0.52

▸	OPRM1	P35372	1/20	0.52

▸	OPRD1	P41143	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
SCHEMBL29843099	0.98	C5AR1 (0.58)	C5AR1APLNRCXCR4CALCRMC4R
SCHEMBL30753760	0.95	C5AR1 (0.64)	C5AR1APLNRCXCR4CALCRMC4R
SCHEMBL30233281	0.94	C5AR1 (0.63)	C5AR1APLNRCXCR4CALCRMC4R
SCHEMBL30233565	0.94	C5AR1 (0.59)	C5AR1APLNRCXCR4CALCRMC4R
SCHEMBL30788369	0.93	C5AR1 (0.57)	C5AR1APLNRCXCR4MC4ROPRM1
SCHEMBL30788366	0.92	C5AR1 (0.58)	C5AR1APLNRCXCR4MC4ROPRM1
SCHEMBL30233460	0.92	CALCR (0.59)	C5AR1CALCRHCRTR1HCRTR2OPRM1
SCHEMBL30788357	0.91	TFPI (0.59)	C5AR1CXCR4CALCRMC4RHCRTR1
SCHEMBL30233748	0.91	C5AR1 (0.59)	C5AR1APLNRCXCR4CALCRMC4R
SCHEMBL30233422	0.91	C5AR1 (0.58)	C5AR1APLNRCXCR4CALCRNMUR2

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