SCHEMBL5509845

SCHEMBL5509845

Oc1ccc(O)c2c1Oc1cc(-c3cccnc3)ccc1N2C1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 9/20 0.40
CYP11B1 P15538 8/20 0.40
MKNK1 Q9BUB5 3/20 0.40
MKNK2 Q9HBH9 3/20 0.40
CYP1A2 P05177 4/20 0.39
CYP3A4 P08684 2/20 0.39
CLK4 Q9HAZ1 1/20 0.39
DYRK1A Q13627 2/20 0.38
WNT1 P04628 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ERN1 O75460 1/20 0.37
PLAT P00750 1/20 0.35
PIM1 P11309 1/20 0.35
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.34
HIF1A Q16665 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL5115848 0.88 CYP11B2 (0.40) CYP11B2CYP11B1MKNK1MKNK2CYP1A2
SCHEMBL5503892 0.88 QDPR (0.36) MKNK1MKNK2ERN1PIM1
SCHEMBL5119729 0.81 CYP11B2 (0.45) CYP11B2CYP11B1MKNK1MKNK2CYP1A2
SCHEMBL5507937 0.79 PIM1 (0.37) CYP11B2CYP11B1MKNK1MKNK2CYP1A2
SCHEMBL5511585 0.78 HTR2C (0.39) CYP1A2CYP3A4KDM4EPIM1USP2
SCHEMBL13395064 0.75 CYP11B2 (0.39) CYP11B2CYP11B1CYP1A2ERN1
SCHEMBL3188918 0.75 CYP11B2 (0.39) CYP11B2CYP11B1CYP1A2ERN1
SCHEMBL5094733 0.72 MKNK1 (0.41) CYP11B2CYP11B1MKNK1MKNK2CYP1A2
SCHEMBL5507974 0.69 MKNK1 (0.36) CYP11B2CYP11B1MKNK1MKNK2CYP1A2
SCHEMBL5119736 0.69 PIM1 (0.40) MKNK1MKNK2PIM1ALDH1A1ALOX15

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