SCHEMBL16976109

CCCCCCCCCCCCCCCC(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NC

nearest known ligand 0.54

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	GRIA1	P42261	5/20	0.54

▸	NPBWR1	P48145	2/20	0.52

▸	CHRND	Q07001	5/20	0.51

▸	CHRNA1	P02708	1/20	0.51

▸	CHRNG	P07510	1/20	0.51

▸	CHRNB1	P11230	1/20	0.51

▸	NPY5R	Q15761	4/20	0.51

▸	NPY1R	P25929	3/20	0.51

▸	NPY4R	P50391	3/20	0.51

▸	CD40	P25942	1/20	0.50

▸	OPRM1	P35372	2/20	0.49

▸	OPRD1	P41143	2/20	0.49

▸	NPY2R	P49146	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
SCHEMBL17166399	0.92	GRIA1 (0.55)	GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL17166419	0.92	GRIA1 (0.55)	GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL14479456	0.90	GRIA1 (0.54)	GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL14479454	0.90	GRIA1 (0.54)	GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL16976119	0.90	GRIA1 (0.54)	GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL16976122	0.90	GRIA1 (0.54)	GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL16976117	0.90	GRIA1 (0.54)	GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL16976104	0.90	GRIA1 (0.54)	GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL16976102	0.90	GRIA1 (0.54)	GRIA1CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL16976096	0.90	GRIA1 (0.54)	GRIA1CHRNDCHRNA1CHRNGCHRNB1

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-9096646-B2	CXCR4 receptor compounds	ANCHOR THERAPEUTICS, INC. (US)	2015-08-04	—	—	US	disclosed