SCHEMBL5884657

SCHEMBL5884657

CCON=Cc1ccc(OCCC2CCN(c3ccc(C)nn3)CC2)c(C)c1C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.36
OGA O60502 1/20 0.32
CTSS P25774 2/20 0.32
PPARG P37231 2/20 0.31
PPARD Q03181 2/20 0.31
PPARA Q07869 2/20 0.31
SLC2A1 P11166 1/20 0.31
GPR119 Q8TDV5 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL5884576 0.92 MEN1 (0.37) OPRK1PPARGPPARDPPARAALDH1A1
SCHEMBL5884402 0.90 OPRK1 (0.33) OPRK1OGACTSSPPARGPPARD
SCHEMBL5884645 0.86 OPRK1 (0.36) OPRK1OGACTSSPPARGPPARD
SCHEMBL5884608 0.84 HPGD (0.40) OPRK1OGAPPARGPPARDGPR119
SCHEMBL5884485 0.84 HPGD (0.38) OPRK1OGACTSSPPARGPPARD
SCHEMBL5884543 0.84 OPRK1 (0.38) OPRK1OGAPPARGPPARDPPARA
SCHEMBL5884595 0.83 GAA (0.38) OPRK1CTSSSLC2A1KDM4EALDH1A1
SCHEMBL5884689 0.82 KCNH2 (0.39) OPRK1GPR119ALDH1A1MAPTHPGD
SCHEMBL5884333 0.82 KCNH2 (0.39) OPRK1GPR119ALDH1A1MAPTHPGD
SCHEMBL5884899 0.80 GPR119 (0.36) OPRK1OGAPPARGPPARDPPARA

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