SCHEMBL18872894

C#CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)C(C)CC)C(C)CC)C(C)C

nearest known ligand 0.68

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	AGTR1	P30556	4/20	0.68

▸	AGTR2	P50052	2/20	0.66

▸	LNPEP	Q9UIQ6	3/20	0.57

▸	ANPEP	P15144	1/20	0.57

▸	REN	P00797	4/20	0.57

▸	NPY2R	P49146	3/20	0.56

▸	NPY4R	P50391	3/20	0.56

▸	NPY5R	Q15761	3/20	0.56

▸	NPY1R	P25929	2/20	0.56

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
SCHEMBL18872896	0.93	AGTR1 (0.68)	AGTR1AGTR2LNPEPANPEPREN
Trv-120027 SCHEMBL29382211	0.90	AGTR1 (0.73)	AGTR1AGTR2LNPEPANPEPNPY2R
SCHEMBL13197592	0.89	AGTR1 (0.66)	AGTR1AGTR2RENNPY2RNPY4R
Angiotensin-Ii SCHEMBL29362121	0.88	AGTR2 (0.76)	AGTR1AGTR2RENNPY2RNPY4R
Angiotensin Ii SCHEMBL1189	0.87	AGTR2 (0.84)	AGTR1AGTR2LNPEPANPEPREN
Angiotensin Ii SCHEMBL2566771	0.87	AGTR2 (0.84)	AGTR1AGTR2LNPEPANPEPREN
Angiotensin Ii SCHEMBL13232382	0.87	AGTR2 (0.84)	AGTR1AGTR2LNPEPANPEPREN
Apidaecin Ia SCHEMBL29458103	0.87	NPY2R (0.63)	AGTR1AGTR2NPY2RNPY4RNPY5R
SCHEMBL13197589	0.86	AGTR1 (0.62)	AGTR1AGTR2LNPEPANPEPNPY2R
Angiotensin Ii SCHEMBL3465991	0.86	AGTR2 (0.83)	AGTR1AGTR2LNPEPANPEPREN

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-1768708-B1	N4 CHELATOR CONJUGATES	GE HEALTHCARE LTD (GB)	2017-05-17	—	—	EP	disclosed