SCHEMBL580054

SCHEMBL580054

O=C(Nc1ccc(Oc2ccc(CCNCc3ccccc3)cc2)cc1)Oc1ccco1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.55
OPRD1 P41143 5/20 0.55
OPRK1 P41145 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 3/20 0.50
TP53 P04637 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
RECQL P46063 1/20 0.49
ATM Q13315 1/20 0.49
LTA4H P09960 2/20 0.48
EPHX2 P34913 1/20 0.48
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
GRIN1 Q05586 1/20 0.45
KCNH2 Q12809 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45

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
SCHEMBL580225 0.85 SMN1; SMN2 (0.71) OPRM1OPRD1OPRK1SMN1; SMN2LMNA
SCHEMBL579849 0.84 OPRM1 (0.53) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL580457 0.80 OPRM1 (0.58) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL580592 0.80 OPRM1 (0.56) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL579606 0.79 OPRM1 (0.65) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL580074 0.78 OPRM1 (0.51) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL5739389 0.78 MEN1 (0.51) OPRM1OPRD1OPRK1SMN1; SMN2LMNA
SCHEMBL579469 0.78 OPRM1 (0.67) OPRM1OPRD1OPRK1SMN1; SMN2MEN1
SCHEMBL580563 0.78 OPRM1 (0.53) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL580366 0.77 OPRM1 (0.50) OPRM1OPRD1OPRK1MEN1KMT2A

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-1735268-B1 OPIOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2012-02-15 EP claimed