SCHEMBL3696205

SCHEMBL3696205

NC(=O)c1ccc(Oc2ccc(CCNCc3cccc(F)c3)cc2Cl)nc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 14/20 0.58
OPRD1 P41143 13/20 0.58
OPRK1 P41145 10/20 0.58
GRIN2D O15399 1/20 0.58
GRIN3B O60391 1/20 0.58
SLC6A2 P23975 1/20 0.58
SLC6A3 Q01959 1/20 0.58
GRIN1 Q05586 1/20 0.58
KCNH2 Q12809 1/20 0.58
GRIN2A Q12879 1/20 0.58
GRIN2B Q13224 1/20 0.58
ROCK1 Q13464 1/20 0.58
GRIN2C Q14957 1/20 0.58
GRIN3A Q8TCU5 1/20 0.58
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
NTRK1 P04629 1/20 0.45
NOS1 P29475 2/20 0.43

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
SCHEMBL13285370 0.93 OPRM1 (0.53) OPRM1OPRD1OPRK1GRIN2DGRIN3B
Hydrochloric Acid SCHEMBL3700621 0.92 OPRM1 (0.52) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL3695492 0.91 OPRM1 (0.60) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL3700686 0.90 OPRM1 (0.71) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL3691806 0.90 OPRM1 (0.71) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL3697076 0.89 OPRM1 (0.58) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL3696543 0.89 OPRM1 (0.58) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL3693482 0.89 OPRM1 (0.55) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL27573920 0.86 MEN1 (0.49) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL3689678 0.86 OPRM1 (0.78) OPRM1OPRD1OPRK1GRIN2DGRIN3B

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2208727-A1 Diaryl ethers as opioid receptor antagonist Eli Lilly & Company (US) 2010-07-21 EP disclosed
EP-1562595-B1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-05-21 EP disclosed