SCHEMBL13356192

CCCCCCCCCCCCCCCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CC(C)N([C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)O)[C@@H](C)O)C1=O

nearest known ligand 0.51

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	APLNR	P35414	2/20	0.51

▸	RAMP3	O60896	16/20	0.44

▸	CALCR	P30988	16/20	0.44

▸	GLP1R	P43220	1/20	0.41

▸	GCGR	P47871	1/20	0.41

▸	GIPR	P48546	1/20	0.41

▸	GALR2	O43603	1/20	0.41

▸	GALR1	P47211	1/20	0.41

▸	RAMP1	O60894	1/20	0.41

▸	RAMP2	O60895	1/20	0.41

▸	CALCRL	Q16602	1/20	0.41

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
SCHEMBL16508596	0.77	RAMP3 (0.53)	APLNRRAMP3CALCR
SCHEMBL16508488	0.73	APLNR (0.45)	APLNRRAMP3CALCR
SCHEMBL29388041	0.73	NPY2R (0.49)	CALCR
SCHEMBL30933122	0.72	APLNR (0.48)	APLNRRAMP3CALCR
SCHEMBL17370235	0.72	CAPN1 (0.52)	APLNRRAMP3CALCR
SCHEMBL16508487	0.72	NAA50 (0.48)	APLNRRAMP3CALCR
SCHEMBL30933079	0.72	APLNR (0.51)	APLNRRAMP3CALCR
SCHEMBL29453464	0.70	CALCR (0.50)	APLNRCALCR
SCHEMBL17378292	0.70	APLNR (0.47)	APLNRRAMP3CALCR
SCHEMBL31297112	0.70	APLNR (0.54)	APLNRRAMP3CALCR

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-2010053547-A2	CXCR5 RECEPTOR COMPOUNDS	ANCHOR THERAPEUTICS, INC. (US)	2010-05-14	—	—	WO	disclosed