SCHEMBL904908

SCHEMBL904908

Fc1ccc(C(CCCN2CCC(c3nc4ccccc4o3)CC2)c2ccc(F)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
SLC6A9 P48067 1/20 0.48
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
SLC22A2 O15244 1/20 0.47
MLNR O43193 1/20 0.47
CACNA1G O43497 1/20 0.47
CACNA1F O60840 1/20 0.47
GMNN O75496 1/20 0.47
USP2 O75604 1/20 0.47
USP1 O94782 1/20 0.47
KCNK2 O95069 1/20 0.47
CACNA1H O95180 1/20 0.47
ABCB11 O95342 1/20 0.47
ALDH1A1 P00352 1/20 0.47
ESR1 P03372 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
PGR P06401 1/20 0.47

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
SCHEMBL7531162 0.79 LMNA (0.53) LMNAALDH1A1MAPTHTR2B
SCHEMBL904827 0.77 LMNA (0.55) GAASLC6A9LMNAALDH1A1MAPT
SCHEMBL904877 0.77 KMT2A (0.56) SLC6A9LMNAKDM4EMEN1SLC22A2
SCHEMBL11151282 0.77 ACHE (0.54) DRD2SLC6A4
Hydrochloric Acid SCHEMBL10892067 0.76 ACHE (0.53) DRD2SLC6A4
SCHEMBL27969428 0.74 BCHE (0.59) LMNAUSP2ALDH1A1DRD2TSHR
SCHEMBL7531642 0.73 ACHE (0.43) MEN1DRD2SLC6A4KMT2AKCNH2
SCHEMBL904904 0.72 ADRA1A (0.66) LMNAKDM4EMEN1SLC22A2MLNR
SCHEMBL904841 0.72 CCR3 (0.56) LMNA
SCHEMBL11932553 0.72 PRKDC (0.43) LMNAALDH1A1MAPTMAPK1HTT

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
WO-2011143444-A2 DIPHENYLBUTYPIPERIDINE AUTOPHAGY INDUCERS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-11-17 WO disclosed