SCHEMBL27722326

SCHEMBL27722326

Cc1c(N)cccc1N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.53
SCD O00767 4/20 0.53
NPY2R P49146 2/20 0.53
GBA1 P04062 1/20 0.52
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL973493 0.76 SCD (0.55) SCDNPY2RGBA1LMNATSHR
SCHEMBL5371899 0.76 SCD (0.52) SCDNPY2RGBA1TSHRSMN1; SMN2
SCHEMBL13983799 0.76 SCD (0.62) P2RX7SCDNPY2RGBA1L3MBTL1
SCHEMBL3312656 0.76 ALDH1A1 (0.72) KDM4ELMNAGLAGAAL3MBTL1
SCHEMBL31011166 0.75 ALDH1A1 (0.67) P2RX7KDM4ELMNAGAAL3MBTL1
SCHEMBL4262448 0.74 CYP2C9 (0.63) SCDNPY2RGBA1TSHR
SCHEMBL3455972 0.73 LMNA (0.73) KDM4ELMNAGLAGAAL3MBTL1
SCHEMBL2820604 0.73 SCD (0.58) P2RX7SCDNPY2RGBA1
SCHEMBL13282314 0.73 SCD (0.56) P2RX7SCDNPY2RGBA1
SCHEMBL4716887 0.73 SCD (0.56) SCDNPY2RGBA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101163504-A Combination therapy XENON PHARMACEUTICALS INC (CA) 2008-04-16 CN claimed
CN-101980709-A Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC 2011-02-23 CN disclosed
CN-101669952-A Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC 2010-03-17 CN disclosed
CN-101163504-A Combination therapy XENON PHARMACEUTICALS INC (CA) 2008-04-16 CN disclosed