SCHEMBL29402814

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)O

nearest known ligand 0.55

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	VIPR2	P41587	6/20	0.55

▸	VIPR1	P32241	5/20	0.55

▸	BACE1	P56817	6/20	0.55

▸	BACE2	Q9Y5Z0	3/20	0.55

▸	NTSR2	O95665	1/20	0.51

▸	NTSR1	P30989	1/20	0.51

▸	OPRM1	P35372	1/20	0.48

▸	OPRD1	P41143	1/20	0.48

▸	OPRK1	P41145	1/20	0.48

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
SCHEMBL30975114	0.91	NTSR2 (0.53)	VIPR2VIPR1BACE1BACE2NTSR2
SCHEMBL29903284	0.89	VIPR1 (0.58)	VIPR2VIPR1
SCHEMBL30143338	0.89	BACE1 (0.62)	VIPR2VIPR1BACE1BACE2NTSR2
SCHEMBL30863951	0.88	BACE1 (0.47)	VIPR2VIPR1BACE1
SCHEMBL32677746	0.88	BACE1 (0.59)	BACE1BACE2OPRD1OPRK1
SCHEMBL30647291	0.88	BACE1 (0.59)	BACE1BACE2OPRD1OPRK1
SCHEMBL31540383	0.88	BACE1 (0.56)	VIPR2VIPR1BACE1BACE2NTSR2
SCHEMBL30751740	0.87	BACE1 (0.55)	VIPR2VIPR1BACE1BACE2NTSR2
SCHEMBL30445421	0.87	NTSR2 (0.55)	BACE1BACE2NTSR2NTSR1
SCHEMBL30512499	0.86	F2 (0.51)	NTSR2NTSR1OPRM1OPRD1OPRK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-114088853-A	Characteristic peptide segment of soman poisoning and identification method of soman poisoning	中国人民解放军61699部队	2022-02-25	—	—	CN	claimed
CN-114088853-A	Characteristic peptide segment of soman poisoning and identification method of soman poisoning	中国人民解放军61699部队	2022-02-25	—	—	CN	disclosed