SCHEMBL904877

SCHEMBL904877

Fc1ccc(C(CCCN2CCC(c3nc4ccccc4[nH]3)CC2)c2ccc(F)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
HTR2B P41595 2/20 0.56
KDM4E B2RXH2 1/20 0.56
MEN1 O00255 1/20 0.56
SLC22A2 O15244 1/20 0.56
MLNR O43193 1/20 0.56
CACNA1G O43497 1/20 0.56
CACNA1F O60840 1/20 0.56
GMNN O75496 1/20 0.56
USP2 O75604 1/20 0.56
USP1 O94782 1/20 0.56
KCNK2 O95069 1/20 0.56
CACNA1H O95180 1/20 0.56
ABCB11 O95342 1/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
ESR1 P03372 1/20 0.56
TP53 P04637 1/20 0.56
CYP1A2 P05177 1/20 0.56
PGR P06401 1/20 0.56

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
SCHEMBL904921 0.89 HTR2B (0.51) KMT2AHTR2BKDM4EMEN1SLC22A2
SCHEMBL7501230 0.86 HTR2B (0.61) KMT2AHTR2BALDH1A1CYP2D6TSHR
SCHEMBL17888859 0.79 HTR2B (0.60) KMT2AHTR2BHRH1CHRNA7
SCHEMBL7533221 0.79 HTR2B (0.60) KMT2AHTR2BALDH1A1TSHRNPSR1
SCHEMBL904908 0.77 GAA (0.49) KMT2AHTR2BKDM4EMEN1SLC22A2
SCHEMBL10395865 0.77 DRD3 (0.54) KMT2AHTR2BKDM4EMEN1SLC22A2
SCHEMBL904827 0.77 LMNA (0.55) KMT2AALDH1A1LMNAMAPTDRD2
SCHEMBL17888861 0.76 HTR2B (0.62) KMT2AHTR2BCHRNA7
SCHEMBL904821 0.76 ADRA1D (0.64) CYP2D6SLC6A4
SCHEMBL9372446 0.76 HTR2A (0.52) KMT2AHTR2BKDM4EMEN1SLC22A2

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