SCHEMBL5884902

SCHEMBL5884902

CCCON=Cc1ccc(OCCC2CCN(c3ccc(C)nn3)CC2)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.38
CTSS P25774 2/20 0.34
SLC2A1 P11166 1/20 0.33
AVPR2 P30518 1/20 0.32
AVPR1A P37288 1/20 0.32
PPARG P37231 1/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 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
SCHEMBL5884485 0.94 HPGD (0.38) HPGDCTSSSLC2A1AVPR2AVPR1A
SCHEMBL5884228 0.89 HPGD (0.37) HPGDCTSSSLC2A1AVPR2AVPR1A
SCHEMBL5884287 0.87 L3MBTL1 (0.37) HPGDPPARGPPARA
SCHEMBL5884125 0.86 HPGD (0.37) HPGDCTSSSLC2A1PPARGPPARD
SCHEMBL5884595 0.85 GAA (0.38) HPGDCTSSSLC2A1
SCHEMBL5884478 0.82 MEN1 (0.40) HPGDCTSSSLC2A1PPARGPPARD
SCHEMBL5884620 0.82 HPGD (0.35) HPGDCTSSSLC2A1PPARGPPARD
SCHEMBL14191686 0.82 NR1I2 (0.38) HPGD
SCHEMBL5884645 0.81 OPRK1 (0.36) CTSSSLC2A1AVPR2AVPR1APPARG
SCHEMBL5884689 0.80 KCNH2 (0.39) HPGD

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