SCHEMBL18752938

C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	LTA4H	P09960	2/20	0.40

▸	HRH1	P35367	2/20	0.40

▸	REN	P00797	2/20	0.40

▸	CCKBR	P32239	2/20	0.40

▸	PTPN1	P18031	1/20	0.40

▸	MME	P08473	2/20	0.40

▸	BACE1	P56817	1/20	0.40

▸	F2	P00734	1/20	0.39

▸	QRFPR	Q96P65	1/20	0.39

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
SCHEMBL18286725	0.89	BACE1 (0.46)	LTA4HPTPN1MMEBACE1
SCHEMBL19387823	0.88	PSMB5 (0.47)	CCKBRPTPN1F2
SCHEMBL13315229	0.88	PSMB5 (0.47)	CCKBRPTPN1F2
SCHEMBL16386146	0.88	CCKBR (0.51)	CCKBRQRFPR
SCHEMBL3501195	0.87	CPA1 (0.44)	CCKBR
SCHEMBL18753015	0.87	GLP1R (0.43)	HRH1F2
SCHEMBL30974011	0.85	OPRD1 (0.49)	CCKBR
SCHEMBL5598789	0.85	MME (0.46)	MME
SCHEMBL30692732	0.85	MME (0.46)	MME
SCHEMBL5598794	0.85	MME (0.46)	MME

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
EP-1940841-B9	COMPOUNDS COMPRISING A BIOLOGICAL TARGET RECOGNIZING PART, COUPLED TO A SIGNAL PART CAPABLE OF COMPLEXING GALLIUM	GUERBET SA (FR)	2017-04-19	—	—	EP	disclosed