SCHEMBL5884485

SCHEMBL5884485

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.38
CTSS P25774 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SLC2A1 P11166 1/20 0.34
OPRK1 P41145 2/20 0.33
AVPR2 P30518 1/20 0.33
AVPR1A P37288 1/20 0.33
KDM4E B2RXH2 3/20 0.31
ALDH1A1 P00352 3/20 0.31
CASP1 P29466 3/20 0.31
HSD17B10 Q99714 3/20 0.31
CASP7 P55210 2/20 0.31
MAPT P10636 2/20 0.31
GAA P10253 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
KCNH2 Q12809 1/20 0.31
LMNA P02545 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
SCHEMBL5884902 0.94 HPGD (0.38) HPGDCTSSSLC2A1AVPR2AVPR1A
SCHEMBL5884125 0.92 HPGD (0.37) HPGDCTSSSMN1; SMN2SLC2A1ALDH1A1
SCHEMBL5884228 0.92 HPGD (0.37) HPGDCTSSSLC2A1AVPR2AVPR1A
SCHEMBL5884595 0.91 GAA (0.38) HPGDCTSSSMN1; SMN2SLC2A1OPRK1
SCHEMBL5884645 0.87 OPRK1 (0.36) CTSSSLC2A1OPRK1AVPR2AVPR1A
SCHEMBL5884689 0.87 KCNH2 (0.39) HPGDSMN1; SMN2OPRK1ALDH1A1MAPT
SCHEMBL5884333 0.87 KCNH2 (0.39) HPGDSMN1; SMN2OPRK1ALDH1A1MAPT
SCHEMBL5884592 0.85 NPC1 (0.35) SMN1; SMN2SLC2A1OPRK1PPARGPPARD
SCHEMBL5884620 0.84 HPGD (0.35) HPGDCTSSSMN1; SMN2SLC2A1ALDH1A1
SCHEMBL5884657 0.84 OPRK1 (0.36) HPGDCTSSSLC2A1OPRK1KDM4E

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