SCHEMBL5884402

SCHEMBL5884402

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

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.33
OGA O60502 1/20 0.33
CTSS P25774 2/20 0.33
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
SLC2A1 P11166 1/20 0.32
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
NR1I2 O75469 1/20 0.31
AVPR2 P30518 1/20 0.30
AVPR1A P37288 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
SCHEMBL5884657 0.90 OPRK1 (0.36) OPRK1OGACTSSPPARGPPARD
SCHEMBL5884479 0.85 CTSS (0.35) OPRK1OGACTSSPPARGPPARD
SCHEMBL5884665 0.83 PPARG (0.38) OPRK1OGAPPARGPPARDPPARA
SCHEMBL5884576 0.82 MEN1 (0.37) OPRK1PPARGPPARDPPARA
SCHEMBL5884362 0.81 NR1I2 (0.38) NR1I2
SCHEMBL5884663 0.79 GPR119 (0.35) OPRK1OGAPPARGPPARDPPARA
SCHEMBL5884805 0.78 NR1I2 (0.32) NR1I2
SCHEMBL5884326 0.78 NPC1 (0.38) PPARGPPARDPPARASLC2A1
SCHEMBL5884608 0.77 HPGD (0.40) OPRK1OGAPPARGPPARDDRD2
SCHEMBL5884645 0.76 OPRK1 (0.36) OPRK1OGACTSSPPARGPPARD

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