SCHEMBL5884479

SCHEMBL5884479

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

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.35
SLC2A1 P11166 1/20 0.35
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
OPRK1 P41145 2/20 0.33
OGA O60502 1/20 0.33
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
AVPR2 P30518 1/20 0.32
AVPR1A P37288 1/20 0.32
NR1I2 O75469 1/20 0.30
HPGD P15428 1/20 0.30
RET P07949 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
SCHEMBL5884645 0.91 OPRK1 (0.36) CTSSSLC2A1PPARGPPARDPPARA
SCHEMBL5884665 0.86 PPARG (0.38) PPARGPPARDPPARAOPRK1OGA
SCHEMBL5884402 0.85 OPRK1 (0.33) CTSSSLC2A1PPARGPPARDPPARA
SCHEMBL5884663 0.82 GPR119 (0.35) SLC2A1PPARGPPARDPPARAOPRK1
SCHEMBL5884362 0.80 NR1I2 (0.38) NR1I2HPGD
SCHEMBL5884326 0.79 NPC1 (0.38) SLC2A1PPARGPPARDPPARA
SCHEMBL5884478 0.79 MEN1 (0.40) CTSSSLC2A1PPARGPPARDPPARA
SCHEMBL5884485 0.77 HPGD (0.38) CTSSSLC2A1PPARGPPARDPPARA
SCHEMBL5884543 0.77 OPRK1 (0.38) PPARGPPARDPPARAOPRK1OGA
SCHEMBL5884805 0.77 NR1I2 (0.32) NR1I2

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