SCHEMBL5507953

SCHEMBL5507953

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 2/20 0.46
TRPA1 O75762 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALOX5 P09917 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
FTO Q9C0B1 1/20 0.35
WDR5 P61964 1/20 0.35
LMNA P02545 2/20 0.35
HPGD P15428 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
NFKB1 P19838 1/20 0.35
XDH P47989 1/20 0.35
GFER P55789 1/20 0.35

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
SCHEMBL5503522 0.89 P2RX4 (0.46) P2RX4MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL5507813 0.87 CHRM4 (0.43) HSD17B10MEN1KMT2ALMNAHPGD
SCHEMBL5115161 0.85 P2RX4 (0.49) P2RX4TRPA1MAPTTSHRALOX5
SCHEMBL5196650 0.76 CYP2D6 (0.43) P2RX4TRPA1MAPTHSD17B10MEN1
SCHEMBL5505147 0.75 KDM4E (0.45) KDM4EALDH1A1OXTR
SCHEMBL5120140 0.75 P2RX4 (0.49) P2RX4MAPTTSHRHSD17B10ALOX5
SCHEMBL5503754 0.75 OPRM1 (0.45) MAPTTSHRALDH1A1
SCHEMBL5503010 0.74 PIM1 (0.38) P2RX4MAPTTSHRSMN1; SMN2NPSR1
SCHEMBL5119452 0.72 CHRM4 (0.48) MAPTHSD17B10MEN1KMT2AKDM4E
SCHEMBL3173450 0.72 TRPA1 (0.43) P2RX4TRPA1MAPTTSHRHSD17B10

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