SCHEMBL5507974

SCHEMBL5507974

Oc1cc(-c2cccnc2)cc2c1N(C1CCNCC1)c1ccccc1S2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 3/20 0.36
MKNK2 Q9HBH9 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PLAT P00750 1/20 0.35
PIM1 P11309 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 2/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.35
HIF1A Q16665 1/20 0.35
HSD17B10 Q99714 1/20 0.35
DRD2 P14416 1/20 0.35
WNT1 P04628 1/20 0.34
DYRK1A Q13627 1/20 0.34
GLO1 Q04760 1/20 0.34
CYP3A4 P08684 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
SCHEMBL5120594 0.84 CYP11B2 (0.42) MKNK1MKNK2SMN1; SMN2PIM1KDM4E
SCHEMBL5506511 0.82 DRD2 (0.46) DRD2KDM1AMAPT
SCHEMBL5507937 0.80 PIM1 (0.37) MKNK1MKNK2PLATPIM1NPC1
SCHEMBL5506174 0.79 KDM1A (0.35) SMN1; SMN2PIM1KDM1AMEN1KMT2A
SCHEMBL5507708 0.77 LMNA (0.40) KDM1AMAPT
SCHEMBL12537100 0.72 KDM1A (0.47) CYP1A2DRD2KDM1AMAOAPOLB
SCHEMBL38663158 0.72 KDM1A (0.47) CYP1A2DRD2KDM1AMAOAPOLB
SCHEMBL5504474 0.71 DRD2 (0.43) DRD2KDM1AMAPT
SCHEMBL3167913 0.70 CYP11B2 (0.41) SMN1; SMN2CYP1A2DRD2CYP11B1CYP11B2
SCHEMBL5509845 0.69 CYP11B2 (0.40) MKNK1MKNK2PLATPIM1KDM4E

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