SCHEMBL18064482

NCCCC[C@@H](C(=O)O)N(C(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN

nearest known ligand 0.40

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CHRND	Q07001	6/20	0.40

▸	CHRNA1	P02708	2/20	0.40

▸	CHRNG	P07510	2/20	0.40

▸	CHRNB1	P11230	2/20	0.40

▸	NTSR1	P30989	3/20	0.39

▸	CTSB	P07858	1/20	0.39

▸	ITGB3	P05106	4/20	0.39

▸	ITGA2B	P08514	4/20	0.39

▸	ERAP2	Q6P179	1/20	0.37

▸	LNPEP	Q9UIQ6	1/20	0.37

▸	GRIA1	P42261	4/20	0.37

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
Pentetic Acid SCHEMBL9440488	0.83	SLC15A2 (0.51)	CHRNDCHRNA1CHRNGCHRNB1NTSR1
SCHEMBL306050	0.74	FOLH1 (0.50)	CHRNDCHRNA1CHRNGCHRNB1NTSR1
SCHEMBL19211966	0.74	FOLH1 (0.49)	CHRNDCHRNA1CHRNGCHRNB1NTSR1
SCHEMBL9318101	0.73	SLC7A5 (0.49)	CTSBITGB3ITGA2BERAP2LNPEP
SCHEMBL9715437	0.72	CHRND (0.44)	CHRNDCHRNA1CHRNGCHRNB1LNPEP
SCHEMBL9318080	0.71	SLC15A2 (0.60)	CHRNDCHRNA1CHRNGCHRNB1ERAP2
SCHEMBL9318061	0.71	SLC15A2 (0.60)	CHRNDCHRNA1CHRNGCHRNB1ERAP2
SCHEMBL29980121	0.71	SLC15A2 (0.54)	CHRNDCHRNA1CHRNGCHRNB1ITGB3
SCHEMBL7122844	0.71	SLC15A2 (0.59)	CHRNDCHRNA1CHRNGCHRNB1ERAP2
SCHEMBL7122854	0.71	SLC15A2 (0.59)	CHRNDCHRNA1CHRNGCHRNB1ERAP2

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
US-20160272818-A1	Metal Complexing Agents as Corrosion Inhibitors	PRC-DESOTO INTERNATIONAL, INC.	2016-09-22	—	—	US	disclosed