SCHEMBL29614950

C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)O

nearest known ligand 0.66

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	RAMP3	O60896	6/20	0.63

▸	CALCR	P30988	6/20	0.63

▸	EPHA2	P29317	2/20	0.61

▸	NMUR2	Q9GZQ4	3/20	0.61

▸	NMUR1	Q9HB89	3/20	0.61

▸	MAPK8	P45983	1/20	0.59

▸	MAPK9	P45984	1/20	0.59

▸	MAPK10	P53779	1/20	0.59

▸	NPY2R	P49146	5/20	0.58

▸	NPY4R	P50391	5/20	0.58

▸	NPY5R	Q15761	5/20	0.58

▸	NPY1R	P25929	3/20	0.58

▸	CXCR4	P61073	1/20	0.58

▸	TFPI	P10646	1/20	0.58

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
SCHEMBL31281288	0.91	MAPK8 (0.60)	RAMP3CALCREPHA2NMUR2NMUR1
SCHEMBL31743445	0.91	EPHA2 (0.59)	RAMP3CALCREPHA2NMUR2NMUR1
SCHEMBL30607338	0.90	NPY2R (0.64)	RAMP3CALCREPHA2NMUR2NMUR1
SCHEMBL31182450	0.90	NPY2R (0.66)	RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL30824295	0.90	NPY2R (0.64)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL30804666	0.90	NPY2R (0.64)	EPHA2NPY2RNPY4RNPY5RNPY1R
SCHEMBL30423064	0.90	KEAP1 (0.69)	RAMP3CALCRNMUR2NMUR1NPY2R
SCHEMBL30429026	0.90	RAMP3 (0.58)	RAMP3CALCRNMUR2NMUR1MAPK8
SCHEMBL30176425	0.89	NPY2R (0.64)	RAMP3CALCRNMUR2NMUR1NPY2R
SCHEMBL30495657	0.89	EPHA2 (0.63)	RAMP3CALCREPHA2NMUR2NMUR1

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
EP-3550016-B1	COMPOSITION FOR SACCHARIFICATION OF CELLULOSIC MATERIAL	NOVOZYMES INC (US)	2022-05-04	—	—	EP	disclosed