SCHEMBL30233422

C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CS)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)O

nearest known ligand 0.58

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	C5AR1	P21730	1/20	0.58

▸	NMUR2	Q9GZQ4	5/20	0.57

▸	NMUR1	Q9HB89	5/20	0.57

▸	CALCR	P30988	4/20	0.56

▸	F2	P00734	4/20	0.55

▸	OPRM1	P35372	2/20	0.54

▸	OPRD1	P41143	2/20	0.54

▸	APLNR	P35414	1/20	0.54

▸	CXCR4	P61073	2/20	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
SCHEMBL30233565	0.97	C5AR1 (0.59)	C5AR1NMUR2NMUR1CALCRF2
SCHEMBL29843005	0.96	C5AR1 (0.58)	C5AR1NMUR2NMUR1CALCRF2
SCHEMBL30753760	0.95	C5AR1 (0.64)	C5AR1NMUR2NMUR1CALCROPRM1
SCHEMBL30233281	0.94	C5AR1 (0.63)	C5AR1NMUR2NMUR1CALCRF2
SCHEMBL30233814	0.93	C5AR1 (0.63)	C5AR1CALCRF2CXCR4
SCHEMBL30753759	0.93	NMUR2 (0.62)	NMUR2NMUR1CALCROPRM1OPRD1
SCHEMBL29843099	0.93	C5AR1 (0.58)	C5AR1NMUR2NMUR1CALCRF2
SCHEMBL30753757	0.92	NMUR2 (0.58)	C5AR1NMUR2NMUR1CALCRF2
SCHEMBL30233411	0.92	CALCR (0.63)	C5AR1CALCRF2OPRM1OPRD1
SCHEMBL30788362	0.92	F2 (0.56)	C5AR1NMUR2NMUR1F2CXCR4

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