SCHEMBL5884645

SCHEMBL5884645

CCON=Cc1cc(C)c(OCCC2CCN(c3ccc(C)nn3)CC2)cc1C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.36
CTSS P25774 4/20 0.34
PPARG P37231 2/20 0.34
PPARD Q03181 2/20 0.34
PPARA Q07869 2/20 0.34
SLC2A1 P11166 1/20 0.34
OGA O60502 1/20 0.32
RET P07949 1/20 0.31
AVPR2 P30518 1/20 0.31
AVPR1A P37288 1/20 0.31
GPR119 Q8TDV5 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
SCHEMBL5884479 0.91 CTSS (0.35) OPRK1CTSSPPARGPPARDPPARA
SCHEMBL5884485 0.87 HPGD (0.38) OPRK1CTSSPPARGPPARDPPARA
SCHEMBL5884543 0.87 OPRK1 (0.38) OPRK1PPARGPPARDPPARAOGA
SCHEMBL5884657 0.86 OPRK1 (0.36) OPRK1CTSSPPARGPPARDPPARA
SCHEMBL5884608 0.84 HPGD (0.40) OPRK1PPARGPPARDOGAGPR119
SCHEMBL5884899 0.83 GPR119 (0.36) OPRK1PPARGPPARDPPARAOGA
SCHEMBL5884595 0.82 GAA (0.38) OPRK1CTSSSLC2A1RET
SCHEMBL5884333 0.81 KCNH2 (0.39) OPRK1GPR119
SCHEMBL5884689 0.81 KCNH2 (0.39) OPRK1GPR119
SCHEMBL5884902 0.81 HPGD (0.38) CTSSPPARGPPARDPPARASLC2A1

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