SCHEMBL5503754

SCHEMBL5503754

O=C(O)c1cc(O)c2c(c1)Oc1ccccc1N2C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.45
OPRK1 P41145 1/20 0.45
OPRL1 P41146 1/20 0.45
SLC6A12 P48065 1/20 0.44
SLC6A13 Q9NSD5 1/20 0.44
ACHE P22303 4/20 0.43
BCHE P06276 2/20 0.43
LTA4H P09960 3/20 0.42
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL5507813 0.90 CHRM4 (0.43) OPRM1OPRK1OPRL1SLC6A12SLC6A13
SCHEMBL5505687 0.87 OPRM1 (0.45) OPRM1OPRK1OPRL1ACHEMAPT
SCHEMBL5503522 0.85 P2RX4 (0.46) MAPT
SCHEMBL5115820 0.85 SLC6A12 (0.52) OPRM1OPRK1OPRL1SLC6A12SLC6A13
SCHEMBL5506035 0.85 KDM4E (0.47) SLC6A12ALDH1A1SIGMAR1
SCHEMBL5509159 0.82 DRD4 (0.43) OPRM1OPRK1OPRL1ACHETSHR
SCHEMBL5506807 0.79 DRD4 (0.44) OPRM1OPRK1OPRL1ACHEMAPT
SCHEMBL5505147 0.78 KDM4E (0.45) SLC6A12ALDH1A1SIGMAR1
SCHEMBL5119452 0.77 CHRM4 (0.48) OPRM1OPRK1OPRL1SLC6A12SLC6A13
SCHEMBL5112789 0.76 OPRD1 (0.51) OPRM1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1846400-A2 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-24 EP claimed
WO-2006074388-A2 TRICYCLIC δ-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-13 WO claimed
EP-1846400-A2 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-24 EP disclosed
WO-2006074388-A2 TRICYCLIC δ-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-13 WO disclosed