SCHEMBL5805986

SCHEMBL5805986

Fc1ccc(C(F)(F)F)c(C=C2CCN(c3ccccn3)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
GAA P10253 2/20 0.44
BCHE P06276 3/20 0.44
ACHE P22303 3/20 0.44
BACE1 P56817 3/20 0.44
POLB P06746 2/20 0.43
LMNA P02545 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 2/20 0.43
DRD4 P21917 2/20 0.42
DPP4 P27487 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HTT P42858 2/20 0.42
ALDH1A1 P00352 2/20 0.40
TSHR P16473 2/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL5810600 0.79 OGA (0.40) KDM4EKMT2AMAPTMEN1SMN1; SMN2
SCHEMBL5809603 0.78 DPP4 (0.43) KDM4EPOLBDRD4DPP4DPP8
SCHEMBL5806175 0.76 SCD (0.44)
SCHEMBL5810428 0.74 SCD (0.58)
SCHEMBL3405929 0.74 KDM4E (0.57) KDM4EGAAPOLBLMNAKMT2A
SCHEMBL5808458 0.73 RBP4 (0.39)
SCHEMBL5820146 0.72 DCTPP1 (0.59)
SCHEMBL3413095 0.71 P2RX7 (0.62) KDM4EGAAPOLBLMNAKMT2A
SCHEMBL5807884 0.71 SCD (0.61)
SCHEMBL5809576 0.71 SCD (0.52)

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-2006125181-A2 PIPERIDINE DERIVATIVES AND THEIR USE AS STEAROYL-COA DESATURASE MODULATORS XENON PHARMACEUTICALS INC. (CA) 2006-11-23 WO disclosed