SCHEMBL7400880

CCC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(C)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(N)=O)C(C)CC

nearest known ligand 0.69

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	EDNRA	P25101	1/20	0.69

▸	MAGI3	Q5TCQ9	1/20	0.63

▸	CASP1	P29466	1/20	0.57

▸	CASP3	P42574	1/20	0.57

▸	CASP4	P49662	1/20	0.57

▸	CASP5	P51878	1/20	0.57

▸	CASP7	P55210	1/20	0.57

▸	CASP9	P55211	1/20	0.57

▸	CASP6	P55212	1/20	0.57

▸	CASP8	Q14790	1/20	0.57

▸	CASP10	Q92851	1/20	0.57

▸	CCKBR	P32239	12/20	0.55

▸	CCKAR	P32238	2/20	0.55

▸	ERBB2	P04626	1/20	0.53

▸	KISS1R	Q969F8	2/20	0.52

▸	ERAP2	Q6P179	1/20	0.51

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
SCHEMBL9069770	0.96	MAGI3 (0.68)	EDNRAMAGI3CASP1CASP3CASP4
SCHEMBL7397165	0.95	EDNRA (0.73)	EDNRAMAGI3CASP1CASP3CASP4
SCHEMBL9069917	0.93	EDNRA (0.69)	EDNRAMAGI3CASP1CASP3CASP4
SCHEMBL7400882	0.92	EDNRA (0.71)	EDNRAMAGI3CASP1CASP3CASP4
SCHEMBL7396823	0.92	EDNRA (0.69)	EDNRAMAGI3CASP1CASP3CASP4
SCHEMBL7396826	0.92	EDNRA (0.69)	EDNRAMAGI3CASP1CASP3CASP4
SCHEMBL30533185	0.90	EDNRA (0.82)	EDNRAMAGI3CASP1CASP3CASP4
SCHEMBL30533192	0.90	EDNRA (0.73)	EDNRAMAGI3CASP1CASP3CASP4
SCHEMBL7401288	0.89	MAGI3 (0.64)	EDNRAMAGI3CASP1CASP3CASP4
SCHEMBL7401285	0.89	MAGI3 (0.64)	EDNRAMAGI3CASP1CASP3CASP4

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
US-5504070-A	ADMINISTERING OLIGOPEPTIDES, PHOSPHONATES AND MODIFIED AMINO ACIDS AS INHIBITORS	BERLEX LABORATORIES, INC. (US)	1996-04-02	—	—	US	claimed
WO-1993011154-A1	INHIBITORS OF THE CONVERSION OF BIG ENDOTHELIN TO ENDOTHELIN	BERLEX LABORATORIES, INC. (US)	1993-06-10	—	—	WO	claimed