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Naloxone

Naloxone

SCHEMBL5657970

C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5.COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@@]341.Cl

nearest known ligand 0.66

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

OPRD1OPRK1OPRM1

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)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 known ✓ P35372 9/20 0.66
▸ OPRK1 known ✓ P41145 8/20 0.66
▸ OPRD1 known ✓ P41143 7/20 0.66
▸ BLM P54132 2/20 0.66
▸ MAPT P10636 1/20 0.66
▸ CYP2D6 P10635 3/20 0.64
▸ CYBB P04839 2/20 0.64
▸ LMNA P02545 2/20 0.64
▸ NFKB1 P19838 1/20 0.64
▸ KDM4E B2RXH2 1/20 0.64
▸ HSD17B10 Q99714 1/20 0.64
▸ MRGPRX2 Q96LB1 2/20 0.58
▸ ADRB1 P08588 1/20 0.58
▸ PDE4D Q08499 1/20 0.58
▸ PDE3A Q14432 1/20 0.58
▸ SIGMAR1 Q99720 1/20 0.58

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.

Compoundsimilaritytop predictedshared targets
Naloxone SCHEMBL28209122 0.96 OPRK1 (0.71) OPRM1OPRK1OPRD1BLMMAPT
Naloxone SCHEMBL2588324 0.95 OPRK1 (0.71) OPRM1OPRK1OPRD1BLMMAPT
Nalorphine SCHEMBL19816078 0.95 OPRK1 (0.63) OPRM1OPRK1OPRD1BLMMAPT
Naloxone SCHEMBL4950697 0.93 OPRK1 (0.68) OPRM1OPRK1OPRD1BLMMAPT
Oxymorphone SCHEMBL1828172 0.92 OPRM1 (0.68) OPRM1OPRK1OPRD1CYP2D6HSD17B10
Oxycodone SCHEMBL1029465 0.92 OPRM1 (0.68) OPRM1OPRK1OPRD1CYP2D6HSD17B10
Naloxone SCHEMBL2307300 0.91 OPRK1 (0.74) OPRM1OPRK1OPRD1BLMMAPT
Oxycodone SCHEMBL4588570 0.89 OPRM1 (0.73) OPRM1OPRK1OPRD1BLMCYP2D6
Oxycodone SCHEMBL17165053 0.87 OPRM1 (0.61) OPRM1OPRK1OPRD1LMNAMRGPRX2
Oxycodone SCHEMBL19285728 0.87 OPRM1 (0.61) OPRM1OPRK1OPRD1LMNAMRGPRX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019030-A4 METHOD FOR MAKING A MULTI-STAGE DRUG DELIVERY SYSTEM PORT SYSTEMS L L C (US) 2006-04-12 — — EP disclosed
EP-1019030-A1 METHOD FOR MAKING A MULTI-STAGE DRUG DELIVERY SYSTEM Port Systems, L.L.C. (US) 2000-07-19 — — EP disclosed
WO-1999017750-A1 METHOD FOR MAKING A MULTI-STAGE DRUG DELIVERY SYSTEM PORT SYSTEMS, L.L.C. (US) 1999-04-15 — — WO disclosed