SCHEMBL5884608

SCHEMBL5884608

CCON=Cc1ccc(OCCC2CCN(c3ccc(C)nn3)CC2)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.40
OPRK1 P41145 2/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
PDE10A Q9Y233 2/20 0.33
HCRTR1 O43613 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33

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
SCHEMBL5884132 0.91 LMNA (0.39) HPGDOPRK1ALDH1A1CYP1A2L3MBTL1
SCHEMBL5884543 0.91 OPRK1 (0.38) HPGDOPRK1MEN1KMT2APPARG
SCHEMBL5884689 0.85 KCNH2 (0.39) HPGDOPRK1ALDH1A1L3MBTL1MEN1
SCHEMBL5884333 0.85 KCNH2 (0.39) HPGDOPRK1ALDH1A1L3MBTL1MEN1
SCHEMBL5884657 0.84 OPRK1 (0.36) HPGDOPRK1ALDH1A1PPARGPPARD
SCHEMBL5884645 0.84 OPRK1 (0.36) OPRK1PPARGPPARDGPR119OGA
SCHEMBL5884592 0.84 NPC1 (0.35) OPRK1PPARGPPARDGPR119NPC1
SCHEMBL5884665 0.83 PPARG (0.38) HPGDOPRK1PPARGPPARDGPR119
SCHEMBL5884899 0.83 GPR119 (0.36) OPRK1PPARGPPARDGPR119MAPT
SCHEMBL5884102 0.81 MEN1 (0.46) OPRK1MEN1KMT2APPARGPPARD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7078403-B1 Antiviral agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD. (AU) 2006-07-18 US claimed