SCHEMBL5884899

SCHEMBL5884899

CCON=Cc1c(C)cc(OCCC2CCN(c3ccc(C)nn3)CC2)cc1C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.36
OPRK1 P41145 2/20 0.33
MAPT P10636 1/20 0.32
NR1I2 O75469 1/20 0.32
PPARG P37231 2/20 0.31
PPARD Q03181 2/20 0.31
PPARA Q07869 1/20 0.31
TP53 P04637 1/20 0.31
OGA O60502 1/20 0.31
TEAD1 P28347 1/20 0.30
TEAD3 Q99594 1/20 0.30
RET P07949 1/20 0.30
SCD O00767 1/20 0.30
ADK P55263 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
SCHEMBL5884663 0.90 GPR119 (0.35) GPR119OPRK1MAPTNR1I2PPARG
SCHEMBL5884543 0.89 OPRK1 (0.38) GPR119OPRK1MAPTNR1I2PPARG
SCHEMBL5884689 0.86 KCNH2 (0.39) GPR119OPRK1MAPTNR1I2TEAD1
SCHEMBL5884333 0.86 KCNH2 (0.39) GPR119OPRK1MAPTNR1I2TEAD1
SCHEMBL5884592 0.85 NPC1 (0.35) GPR119OPRK1PPARGPPARDPPARA
SCHEMBL5884608 0.83 HPGD (0.40) GPR119OPRK1MAPTPPARGPPARD
SCHEMBL5884485 0.83 HPGD (0.38) OPRK1MAPTPPARGPPARDPPARA
SCHEMBL5884645 0.83 OPRK1 (0.36) GPR119OPRK1PPARGPPARDPPARA
SCHEMBL5884353 0.82 KCNH2 (0.39) GPR119OPRK1MAPTNR1I2
SCHEMBL5883890 0.80 DGAT1 (0.35) OPRK1TP53

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