SCHEMBL5503244

SCHEMBL5503244

O=C(O)c1ccc(O)c2c1Oc1cc(Br)ccc1N2C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAOB P27338 4/20 0.42
SIGMAR1 Q99720 2/20 0.41
MCHR1 Q99705 1/20 0.40
BACE1 P56817 3/20 0.39
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 0.39
CHRM2 P08172 3/20 0.39
CHRM3 P20309 3/20 0.39

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
SCHEMBL5511905 0.93 ADRB2 (0.42) KMT2AKDM4EMEN1ALDH1A1GAA
SCHEMBL5116402 0.86 SIGMAR1 (0.45) KMT2AMAOBSIGMAR1MCHR1BACE1
SCHEMBL5507598 0.84 OPRD1 (0.46) OPRM1OPRK1
SCHEMBL5112877 0.79 PARP1 (0.47) KMT2AMAOBSIGMAR1MCHR1BACE1
SCHEMBL5504897 0.76 SLC6A12 (0.47) KMT2AALDH1A1SIGMAR1OPRM1OPRK1
SCHEMBL5503754 0.72 OPRM1 (0.45) ALDH1A1MAPTSIGMAR1OPRM1OPRK1
SCHEMBL5115820 0.71 SLC6A12 (0.52) ALDH1A1MAPTSIGMAR1MCHR1OPRM1
SCHEMBL5117986 0.71 OPRD1 (0.49) OPRM1OPRK1
SCHEMBL5126312 0.69 OPRD1 (0.46) KMT2AMEN1OPRM1OPRK1OPRL1
SCHEMBL5505687 0.68 OPRM1 (0.45) KMT2AKDM4EMEN1ALDH1A1GAA

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