SCHEMBL7402113

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](CCC(=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 0.56

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	MAGI3	Q5TCQ9	1/20	0.56

▸	AGTR2	P50052	2/20	0.52

▸	AGTR1	P30556	1/20	0.52

▸	ERBB2	P04626	1/20	0.52

▸	KISS1R	Q969F8	3/20	0.51

▸	NPY1R	P25929	1/20	0.51

▸	NPY2R	P49146	1/20	0.51

▸	NPY4R	P50391	1/20	0.51

▸	NPY5R	Q15761	1/20	0.51

▸	DPP3	Q9NY33	5/20	0.50

▸	CAPN1	P07384	2/20	0.49

▸	CTSB	P07858	2/20	0.49

▸	F13A1	P00488	1/20	0.49

▸	TGM2	P21980	1/20	0.49

▸	CTNNB1	P35222	1/20	0.49

▸	CXCR4	P61073	1/20	0.49

▸	CASP1	P29466	1/20	0.49

▸	CASP3	P42574	1/20	0.49

▸	CASP4	P49662	1/20	0.49

▸	CASP5	P51878	1/20	0.49

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
SCHEMBL7399755	0.98	MAGI3 (0.55)	MAGI3AGTR2AGTR1ERBB2KISS1R
SCHEMBL7396077	0.95	MAGI3 (0.60)	MAGI3ERBB2KISS1RNPY1RNPY2R
SCHEMBL7402772	0.94	MAGI3 (0.60)	MAGI3ERBB2KISS1RNPY1RNPY2R
SCHEMBL9068982	0.92	MAGI3 (0.58)	MAGI3KISS1RCAPN1CTSBF13A1
SCHEMBL7396073	0.90	KISS1R (0.58)	MAGI3ERBB2KISS1RCAPN1CTSB
SCHEMBL7402771	0.90	KISS1R (0.57)	MAGI3ERBB2KISS1RCAPN1CTSB
SCHEMBL30262151	0.87	KISS1R (0.59)	MAGI3AGTR2AGTR1KISS1RNPY1R
SCHEMBL38664590	0.86	NPY1R (0.57)	MAGI3KISS1RNPY1RNPY2RNPY4R
SCHEMBL30433133	0.86	NPY1R (0.64)	KISS1RNPY1RNPY2RNPY4RNPY5R
SCHEMBL30511828	0.85	NPY1R (0.61)	KISS1RNPY1RNPY2RNPY4RNPY5R

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