Naloxone

SCHEMBL4950697

C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5.CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5.CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5.O=S(=O)(O)O

nearest known ligand 0.68

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

OPRD1 OPRK1 OPRM1

The experimentally established mechanism targets of Naloxone. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	OPRK1 known ✓	P41145	9/20	0.68

▸	OPRM1 known ✓	P35372	9/20	0.68

▸	OPRD1 known ✓	P41143	8/20	0.68

▸	CYP2D6	P10635	3/20	0.68

▸	CYBB	P04839	2/20	0.68

▸	NFKB1	P19838	1/20	0.68

▸	LMNA	P02545	1/20	0.68

▸	KDM4E	B2RXH2	1/20	0.68

▸	HSD17B10	Q99714	1/20	0.68

▸	MAPT	P10636	1/20	0.67

▸	BLM	P54132	1/20	0.67

▸	SIGMAR1	Q99720	1/20	0.61

▸	MRGPRX2	Q96LB1	2/20	0.57

▸	SLC22A1	O15245	1/20	0.57

▸	ADRA2A	P08913	1/20	0.57

▸	ARRB1	P49407	1/20	0.57

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
Naloxone SCHEMBL2588324	0.97	OPRK1 (0.71)	OPRK1OPRM1OPRD1CYP2D6CYBB
Naloxone SCHEMBL28209122	0.97	OPRK1 (0.71)	OPRK1OPRM1OPRD1CYP2D6CYBB
Naloxone SCHEMBL2307300	0.93	OPRK1 (0.74)	OPRK1OPRM1OPRD1CYP2D6CYBB
Naloxone SCHEMBL5657970	0.93	OPRM1 (0.66)	OPRK1OPRM1OPRD1CYP2D6CYBB
Naltrexone SCHEMBL29392247	0.92	OPRM1 (0.67)	OPRK1OPRM1OPRD1CYP2D6LMNA
Naltrexone SCHEMBL30313410	0.91	OPRM1 (0.68)	OPRK1OPRM1OPRD1CYP2D6LMNA
Naltrexone SCHEMBL2425204	0.89	OPRM1 (0.71)	OPRK1OPRM1OPRD1CYP2D6LMNA
Oxymorphone SCHEMBL11477430	0.89	OPRD1 (0.72)	OPRK1OPRM1OPRD1MRGPRX2SLC22A1
Naltrexone SCHEMBL9837116	0.89	OPRK1 (0.68)	OPRK1OPRM1OPRD1CYP2D6CYBB
Nalorphine SCHEMBL19816078	0.88	OPRK1 (0.63)	OPRK1OPRM1OPRD1CYP2D6CYBB

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-2008089034-A2	CYTOKINE INHIBITORS	KEMIA, INC. (US)	2008-07-24	—	—	WO	disclosed