SCHEMBL5884543

SCHEMBL5884543

CCON=Cc1ccc(OCCC2CCN(c3ccc(C)nn3)CC2)cc1C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.38
PPARG P37231 4/20 0.37
PPARD Q03181 4/20 0.37
GPR119 Q8TDV5 2/20 0.35
OGA O60502 1/20 0.34
NR1I2 O75469 1/20 0.33
PPARA Q07869 3/20 0.32
HPGD P15428 1/20 0.32
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
ENPP1 P22413 1/20 0.31
DGAT1 O75907 1/20 0.31
KCNH2 Q12809 1/20 0.31
CHEK2 O96017 1/20 0.31

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
SCHEMBL5884608 0.91 HPGD (0.40) OPRK1PPARGPPARDGPR119OGA
SCHEMBL5884665 0.91 PPARG (0.38) OPRK1PPARGPPARDGPR119OGA
SCHEMBL5884899 0.89 GPR119 (0.36) OPRK1PPARGPPARDGPR119OGA
SCHEMBL5884645 0.87 OPRK1 (0.36) OPRK1PPARGPPARDGPR119OGA
SCHEMBL5884689 0.87 KCNH2 (0.39) OPRK1GPR119NR1I2HPGDMAPT
SCHEMBL5884333 0.87 KCNH2 (0.39) OPRK1GPR119NR1I2HPGDMAPT
SCHEMBL5884592 0.85 NPC1 (0.35) OPRK1PPARGPPARDGPR119PPARA
SCHEMBL5884657 0.84 OPRK1 (0.36) OPRK1PPARGPPARDGPR119OGA
SCHEMBL5884102 0.82 MEN1 (0.46) OPRK1PPARGPPARDGPR119PPARA
SCHEMBL5884132 0.82 LMNA (0.39) OPRK1PPARGPPARDGPR119PPARA

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