Adamantane

SCHEMBL5324119

C1C2CC3CC1CC(C2)C3.CC(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	RAMP3	O60896	9/20	0.49

▸	CALCR	P30988	9/20	0.49

▸	OPRM1	P35372	2/20	0.47

▸	OPRD1	P41143	2/20	0.47

▸	NMUR2	Q9GZQ4	5/20	0.47

▸	NMUR1	Q9HB89	5/20	0.47

▸	CXCR4	P61073	2/20	0.46

▸	EPHA2	P29317	2/20	0.46

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
SCHEMBL28923776	0.92	CXCR4 (0.48)	RAMP3CALCROPRM1OPRD1NMUR2
SCHEMBL2317887	0.92	CXCR4 (0.48)	RAMP3CALCROPRM1OPRD1NMUR2
SCHEMBL2317896	0.92	CXCR4 (0.48)	RAMP3CALCROPRM1OPRD1NMUR2
SCHEMBL29864852	0.90	OPRM1 (0.51)	RAMP3CALCROPRM1OPRD1NMUR2
SCHEMBL29864927	0.90	OPRM1 (0.51)	RAMP3CALCROPRM1OPRD1NMUR2
SCHEMBL29864866	0.90	OPRM1 (0.51)	RAMP3CALCROPRM1OPRD1NMUR2
SCHEMBL29495157	0.90	CXCR4 (0.51)	RAMP3CALCROPRM1OPRD1NMUR2
SCHEMBL29864807	0.89	CXCR4 (0.49)	RAMP3CALCROPRM1OPRD1NMUR2
SCHEMBL29608761	0.89	CXCR4 (0.49)	RAMP3CALCROPRM1OPRD1NMUR2
SCHEMBL29864811	0.89	CXCR4 (0.49)	RAMP3CALCROPRM1OPRD1NMUR2

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-2007092471-A2	METHODS FOR INHIBITION OF LYMPHANGIOGENESIS AND TUMOR METASTASIS	THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US)	2007-08-16	—	—	WO	disclosed