SCHEMBL5508780

SCHEMBL5508780

Oc1cc(-c2cccnc2)cc2c1N(C1CCN(Cc3ccccn3)CC1)c1ccccc1O2

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
SRPK1 Q96SB4 1/20 0.37
OXTR P30559 1/20 0.36
KDM4E B2RXH2 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PARP1 P09874 2/20 0.35
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
PIK3CG P48736 1/20 0.35
TRPV6 Q9H1D0 1/20 0.35
DRD4 P21917 1/20 0.35
CXCR3 P49682 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
SIRT1 Q96EB6 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
SCHEMBL5502548 0.91 L3MBTL1 (0.40) L3MBTL1SRPK1OXTRKDM4ESMN1; SMN2
SCHEMBL5506807 0.89 DRD4 (0.44) KDM4ESMN1; SMN2PIK3CAMTORDRD4
SCHEMBL5112888 0.87 CYP11B1 (0.40) L3MBTL1SRPK1KDM4ESMN1; SMN2PARP1
SCHEMBL5512732 0.85 DRD4 (0.35) OXTRKDM4ESMN1; SMN2PIK3CAMTOR
SCHEMBL5505604 0.84 DRD2 (0.46) KDM4EDRD4MAPTMAPK1
SCHEMBL5507937 0.81 PIM1 (0.37) L3MBTL1KDM4ENPC1RAB9AALDH1A1
SCHEMBL5509159 0.79 DRD4 (0.43) PIK3CAMTORDRD4TSHR
SCHEMBL5112952 0.77 L3MBTL1 (0.41) L3MBTL1SRPK1OXTRKDM4ESMN1; SMN2
SCHEMBL5508370 0.75 PARP2 (0.35) SRPK1OXTRKDM4EPARP1PIK3CA
SCHEMBL5121438 0.75 DRD4 (0.47) SMN1; SMN2PIK3CAMTORDRD4MAPT

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