SCHEMBL2738003

SCHEMBL2738003

CN(C)[C@@H]1Cc2ccc(OC(=O)Oc3ccc([N+](=O)[O-])cc3)c3c2[C@@]2(C)C(O3)C(=O)CCC12

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.65
OPRK1 P41145 11/20 0.38
OPRD1 P41143 9/20 0.38
LMNA P02545 1/20 0.37
PDE4D Q08499 1/20 0.37
MRGPRX2 Q96LB1 1/20 0.37
GAA P10253 1/20 0.34
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL12257903 1.00 OPRM1 (0.65) OPRM1OPRK1OPRD1LMNAPDE4D
SCHEMBL12255370 0.89 OPRM1 (0.51) OPRM1OPRK1OPRD1LMNAPDE4D
SCHEMBL12127582 0.83 OPRM1 (0.42) OPRM1OPRK1OPRD1LMNAPDE4D
SCHEMBL15942834 0.83 OPRM1 (0.42) OPRM1OPRK1OPRD1LMNAPDE4D
SCHEMBL12948089 0.80 OPRM1 (1.00) OPRM1OPRK1OPRD1LMNAPDE4D
SCHEMBL13509416 0.79 OPRD1 (0.54) OPRM1OPRK1OPRD1LMNAPDE4D
SCHEMBL12125460 0.78 OPRD1 (0.66) OPRM1OPRK1OPRD1LMNAPDE4D
SCHEMBL12125447 0.78 OPRD1 (0.66) OPRM1OPRK1OPRD1LMNAPDE4D
SCHEMBL13851509 0.78 OPRD1 (0.66) OPRM1OPRK1OPRD1LMNAPDE4D
SCHEMBL10316209 0.78 OPRD1 (0.66) OPRM1OPRK1OPRD1LMNAPDE4D

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2402037-A1 Controlled release of phenolic opioids Pharmacofore, Inc. (US) 2012-01-04 EP disclosed