SCHEMBL8712281

SCHEMBL8712281

O=C(c1c[nH]c2ccccc12)N1CCC(Nc2ccccc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.64
HTT P42858 1/20 0.63
MAPK14 Q16539 1/20 0.63
HDAC1 Q13547 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
AVPR1A P37288 2/20 0.52
CCR5 P51681 1/20 0.52
DRD2 P14416 1/20 0.51
DRD3 P35462 1/20 0.51
TPSAB1 Q15661 1/20 0.50
RAB9A P51151 3/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
KMT2A Q03164 1/20 0.49
LMNA P02545 1/20 0.48
EIF4A3 P38919 1/20 0.47
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNA7 P36544 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
SCHEMBL7096114 0.87 MAPK14 (0.57) GFERHTTMAPK14HDAC1HDAC6
SCHEMBL7091974 0.86 HTT (0.56) GFERHTTMAPK14HDAC1HDAC6
SCHEMBL29336051 0.85 GFER (0.60) GFERHTTMAPK14HDAC1HDAC6
SCHEMBL8708978 0.83 GFER (0.67) GFERHTTMAPK14HDAC1HDAC6
Hydrochloric Acid SCHEMBL8715800 0.80 GFER (0.62) GFERHTTMAPK14HDAC1HDAC6
SCHEMBL8446728 0.79 MAPK14 (0.68) GFERHTTMAPK14HDAC1HDAC6
SCHEMBL8712806 0.79 GFER (0.62) GFERHTTMAPK14HDAC1HDAC6
SCHEMBL8710647 0.79 GFER (0.61) GFERHTTMAPK14HDAC1HDAC6
SCHEMBL8445235 0.78 GFER (1.00) GFERHTTMAPK14HDAC1HDAC6
SCHEMBL8713088 0.78 GFER (0.57) GFERHTTMAPK14HDAC1HDAC6

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-1998028292-A1 NOVEL PIPERIDINE CONTAINING COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1998-07-02 WO disclosed