SCHEMBL3805702

CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(=O)N[C@@H](CC(N)=O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	RAMP3	O60896	3/20	0.55

▸	CALCR	P30988	3/20	0.55

▸	NMUR2	Q9GZQ4	6/20	0.54

▸	NMUR1	Q9HB89	5/20	0.54

▸	F2	P00734	4/20	0.52

▸	PIN1	Q13526	1/20	0.51

▸	CXCL8	P10145	1/20	0.50

▸	NPY2R	P49146	2/20	0.50

▸	NPY4R	P50391	2/20	0.50

▸	NPY5R	Q15761	2/20	0.50

▸	NPY1R	P25929	1/20	0.50

▸	CXCR4	P61073	1/20	0.49

▸	TFPI	P10646	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
SCHEMBL7113668	0.88	FOLH1 (0.50)	RAMP3CALCRF2PIN1
SCHEMBL6176082	0.81	RAMP3 (0.54)	RAMP3CALCRNMUR2NMUR1NPY2R
SCHEMBL31540378	0.81	CALCR (0.54)	RAMP3CALCRPIN1NPY2RNPY4R
SCHEMBL30567768	0.80	RAMP3 (0.56)	RAMP3CALCRNMUR2NMUR1F2
SCHEMBL30567748	0.78	NMUR2 (0.65)	NMUR2NMUR1NPY2RNPY4RNPY5R
SCHEMBL6176075	0.78	RAMP3 (0.52)	RAMP3CALCR
SCHEMBL14524247	0.78	EPHA2 (0.48)	RAMP3CALCRPIN1CXCR4TFPI
SCHEMBL22550646	0.77	RAMP3 (0.53)	RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL31332297	0.76	NMUR2 (0.56)	NMUR2NMUR1PIN1
SCHEMBL21168599	0.76	GLP1R (0.52)	TFPI

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-20100168031-A1	Lat peptides and their use in assays for identifying immunosuppressants	CARDINAUX FRANCOIS	2010-07-01	—	—	US	disclosed