SCHEMBL10587346

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H](N)CO)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)O)C(C)C)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.65

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	5/20	0.65

▸	GLP1R	P43220	8/20	0.60

▸	CCKBR	P32239	2/20	0.60

▸	NPY1R	P25929	1/20	0.59

▸	NPY2R	P49146	1/20	0.59

▸	NPY4R	P50391	1/20	0.59

▸	NPY5R	Q15761	1/20	0.59

▸	CALCR	P30988	4/20	0.59

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
SCHEMBL30712903	0.91	CXCR4 (0.65)	CXCR4GLP1RCCKBRNPY1RNPY2R
SCHEMBL30712940	0.89	GLP1R (0.68)	CXCR4GLP1RCCKBRNPY1RNPY2R
SCHEMBL30567706	0.88	GLP1R (0.70)	CXCR4GLP1RCCKBRNPY1RNPY2R
SCHEMBL29376307	0.88	CALCA (0.63)	CXCR4GLP1RCCKBRNPY1RNPY2R
SCHEMBL30831408	0.88	NPY1R (0.68)	CXCR4GLP1RCCKBRNPY1RNPY2R
SCHEMBL31590312	0.88	CXCR4 (0.64)	CXCR4GLP1RCCKBRNPY1RNPY2R
SCHEMBL30567700	0.88	CALCR (0.66)	CXCR4GLP1RCCKBRNPY1RNPY2R
SCHEMBL31182980	0.88	NPY1R (0.65)	CXCR4GLP1RNPY1RNPY2RNPY4R
SCHEMBL31575690	0.88	CXCR4 (0.63)	CXCR4GLP1RCCKBRNPY1RNPY2R
SCHEMBL31182564	0.88	NPY1R (0.70)	CXCR4GLP1RCCKBRNPY1RNPY2R

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-0316495-A1	Synthetic peptides useful for the detection of aids-related antibodies in human sera	IAF BIOCHEM INTERNATIONAL INC. (CA)	1989-05-24	—	—	EP	disclosed