SCHEMBL7399755

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)O)[C@@H](C)O)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 19)

	gene	UniProt	supporting neighbours	confidence
▸	MAGI3	Q5TCQ9	1/20	0.55

▸	ERBB2	P04626	1/20	0.52

▸	AGTR1	P30556	1/20	0.52

▸	AGTR2	P50052	1/20	0.52

▸	DPP3	Q9NY33	5/20	0.51

▸	KISS1R	Q969F8	3/20	0.50

▸	CALCRL	Q16602	2/20	0.50

▸	NPY1R	P25929	1/20	0.50

▸	NPY2R	P49146	1/20	0.50

▸	NPY4R	P50391	1/20	0.50

▸	NPY5R	Q15761	1/20	0.50

▸	CAPN1	P07384	2/20	0.50

▸	CTSB	P07858	2/20	0.50

▸	CXCR4	P61073	2/20	0.49

▸	F13A1	P00488	1/20	0.48

▸	TGM2	P21980	1/20	0.48

▸	NTSR2	O95665	1/20	0.48

▸	NTSR1	P30989	1/20	0.48

▸	SORT1	Q99523	1/20	0.48

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
SCHEMBL7402113	0.98	MAGI3 (0.56)	MAGI3ERBB2AGTR1AGTR2DPP3
SCHEMBL7402772	0.95	MAGI3 (0.60)	MAGI3ERBB2DPP3KISS1RNPY1R
SCHEMBL7396077	0.94	MAGI3 (0.60)	MAGI3ERBB2KISS1RNPY1RNPY2R
SCHEMBL9068982	0.93	MAGI3 (0.58)	MAGI3KISS1RCAPN1CTSBF13A1
SCHEMBL7402771	0.90	KISS1R (0.57)	MAGI3ERBB2KISS1RCALCRLCAPN1
SCHEMBL7396073	0.90	KISS1R (0.58)	MAGI3ERBB2KISS1RCALCRLCAPN1
SCHEMBL30262151	0.88	KISS1R (0.59)	MAGI3AGTR1AGTR2KISS1RNPY1R
SCHEMBL38664590	0.85	NPY1R (0.57)	MAGI3KISS1RNPY1RNPY2RNPY4R
SCHEMBL30511828	0.85	NPY1R (0.61)	KISS1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL30257775	0.84	CXCR4 (0.56)	DPP3KISS1RCALCRLNPY1RNPY2R

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
WO-1993011154-A1	INHIBITORS OF THE CONVERSION OF BIG ENDOTHELIN TO ENDOTHELIN	BERLEX LABORATORIES, INC. (US)	1993-06-10	—	—	WO	claimed