SCHEMBL1817247

SCHEMBL1817247

O=C(Nc1ccccc1C(F)(F)F)C1CCNCC1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.61
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
CYP1A2 P05177 1/20 0.60
MAPT P10636 2/20 0.59
RXFP1 Q9HBX9 7/20 0.51
ALDH1A1 P00352 2/20 0.51
SIRT2 Q8IXJ6 1/20 0.50
EPHX2 P34913 1/20 0.49
HTR2C P28335 1/20 0.48

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
SCHEMBL1816200 0.87 POLB (0.58) POLBMEN1KMT2ACYP1A2MAPT
SCHEMBL30136216 0.85 MAPT (0.62) POLBMEN1KMT2ACYP1A2MAPT
SCHEMBL7607788 0.85 MAPT (0.62) POLBMEN1KMT2ACYP1A2MAPT
SCHEMBL7363345 0.83 SIRT2 (0.50) POLBMEN1KMT2ACYP1A2MAPT
SCHEMBL2258748 0.82 EPHX2 (0.67) EPHX2
SCHEMBL13588433 0.81 SMN1; SMN2 (0.59) POLBMEN1KMT2ARXFP1ALDH1A1
SCHEMBL5182843 0.80 POLB (0.74) POLBMEN1KMT2ACYP1A2MAPT
SCHEMBL9965475 0.79 F10 (0.53) POLBMEN1KMT2ARXFP1SIRT2
Trifluoroacetic Acid SCHEMBL3474669 0.78 EPHX2 (0.62) EPHX2
Trifluoroacetic Acid SCHEMBL7363342 0.77 SIRT2 (0.65) RXFP1ALDH1A1SIRT2

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-7951805-B2 Heterocyclic derivatives and their use as mediators of stearoyl-CoA desaturase XENON PHARMACEUTICALS INC. (CA) 2011-05-31 US disclosed