SCHEMBL10015457

CC(C)CC(NNC(CCC(=O)O)C(=O)NCC(=O)NC(CCC(N)=O)C(=O)N[C@@H](C)C(=O)NC(C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C=O)CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)N[C@@H](CO)C(=O)NC(C(=O)N[C@@H](CC(=O)O)C(=O)C(=O)[C@H](CO)NN[C@H](C(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@H](Cc1cnc[nH]1)NN)[C@@H](C)O)[C@@H](C)O)C(C)C

nearest known ligand 0.60

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	4/20	0.60

▸	NR3C1	P04150	6/20	0.59

▸	VIPR1	P32241	4/20	0.55

▸	VIPR2	P41587	4/20	0.55

▸	GLP1R	P43220	5/20	0.54

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
SCHEMBL2742863	0.95	TFPI (0.61)	TFPINR3C1VIPR1VIPR2GLP1R
SCHEMBL11932912	0.85	TFPI (0.64)	TFPINR3C1VIPR1VIPR2GLP1R
SCHEMBL2759455	0.85	NR3C1 (0.70)	NR3C1GLP1R
SCHEMBL2742706	0.85	NR3C1 (0.70)	NR3C1GLP1R
SCHEMBL5959058	0.81	GLP1R (0.68)	NR3C1GLP1R
SCHEMBL12405403	0.79	TFPI (0.63)	TFPINR3C1GLP1R
SCHEMBL30817669	0.79	GLP1R (0.70)	GLP1R
SCHEMBL30987835	0.79	GLP1R (0.75)	GLP1R
SCHEMBL31406266	0.79	GLP1R (0.75)	GLP1R
SCHEMBL29800188	0.79	GLP1R (0.75)	GLP1R

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-8148375-B2	(Cyclopropylphenyl)phenyloxamides, method for the production thereof, and use of same as a medicament	SANOFI-AVENTIS (FR)	2012-04-03	—	—	US	disclosed