SCHEMBL9081658

C[C@@H](O)[C@H](NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	3/20	0.51

▸	RAMP3	O60896	15/20	0.50

▸	CALCR	P30988	15/20	0.50

▸	IL23R	Q5VWK5	1/20	0.46

▸	MAPK8	P45983	1/20	0.45

▸	MAPK9	P45984	1/20	0.45

▸	MAPK10	P53779	1/20	0.45

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
SCHEMBL8606645	0.86	CXCR4 (0.40)	CXCR4IL23R
SCHEMBL30884600	0.85	RAMP3 (0.59)	CXCR4RAMP3CALCR
SCHEMBL14452355	0.83	GRB2 (0.45)	RAMP3CALCRMAPK8MAPK9MAPK10
SCHEMBL16330316	0.83	RAMP3 (0.45)	CXCR4RAMP3CALCRIL23R
SCHEMBL12237948	0.83	CXCR4 (0.49)	CXCR4RAMP3CALCRIL23RMAPK8
SCHEMBL16351202	0.83	OPRM1 (0.49)	RAMP3CALCR
SCHEMBL12314880	0.83	RAMP3 (0.47)	RAMP3CALCRIL23R
SCHEMBL12314876	0.83	RAMP3 (0.47)	RAMP3CALCRIL23R
SCHEMBL13084645	0.83	RAMP3 (0.47)	RAMP3CALCRIL23R
SCHEMBL13084700	0.83	RAMP3 (0.47)	RAMP3CALCRIL23R

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-0730472-A1	IMMOBILIZED LABELLING METHOD	RESOLUTION PHARMACEUTICALS INC. (CA)	1996-09-11	—	—	EP	claimed
WO-1995013832-A1	IMMOBILIZED LABELLING METHOD	RESOLUTION PHARMACEUTICALS INC. (CA)	1995-05-26	—	—	WO	claimed