SCHEMBL8355463

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

nearest known ligand 0.56

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	13/20	0.55

▸	NPY1R	P25929	1/20	0.51

▸	NPY2R	P49146	1/20	0.51

▸	NPY4R	P50391	1/20	0.51

▸	NPY5R	Q15761	1/20	0.51

▸	IL23R	Q5VWK5	1/20	0.50

▸	TACR1	P25103	1/20	0.49

▸	MC4R	P32245	2/20	0.49

▸	MC5R	P33032	2/20	0.49

▸	MC3R	P41968	2/20	0.49

▸	MC1R	Q01726	2/20	0.49

▸	CCKBR	P32239	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
SCHEMBL8355434	1.00	CXCR4 (0.55)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30436895	0.86	CXCR4 (0.62)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31396846	0.82	DPP3 (0.56)	TACR1
SCHEMBL12877541	0.82	CXCR4 (0.54)	CXCR4IL23RTACR1CCKBR
SCHEMBL12890870	0.82	CXCR4 (0.54)	CXCR4IL23RTACR1CCKBR
SCHEMBL29867534	0.81	CXCR4 (0.59)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30903278	0.81	MC4R (0.59)	NPY1RNPY2RNPY4RNPY5RIL23R
SCHEMBL29465231	0.81	CXCR4 (0.56)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31127571	0.81	GHSR (0.54)	CXCR4TACR1
SCHEMBL31622299	0.80	CXCR4 (0.66)	CXCR4NPY1RNPY2RNPY4RNPY5R

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-1999020300-A1	INHIBITION OF TUMOR CELL ADHESION TO TYPE IV COLLAGEN	THE REGENTS OF THE UNIVERSITY OF MINNESOTA (US)	1999-04-29	—	—	WO	claimed