SCHEMBL9250469

SCHEMBL9250469

O=C(NCC(F)(F)F)c1ccc2c(ccn2-c2ccc(OC3CCNCC3)cn2)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.41
SCN9A Q15858 1/20 0.40
GSK3B P49841 3/20 0.40
DYRK1A Q13627 3/20 0.40
WNT1 P04628 2/20 0.40
IP6K1 Q92551 1/20 0.39
ROCK1 Q13464 2/20 0.38
EGLN1 Q9GZT9 1/20 0.38
FGFR3 P22607 2/20 0.37
KDR P35968 1/20 0.37
MAOA P21397 1/20 0.36
HPGDS O60760 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
CSF1R P07333 1/20 0.36
FLT3 P36888 1/20 0.36
DDR1 Q08345 1/20 0.36
ACACB O00763 1/20 0.36

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
SCHEMBL9266551 0.89 PLK1 (0.45) KDM1AGSK3BDYRK1AWNT1IP6K1
SCHEMBL9262615 0.88 KDM1A (0.42) KDM1AGSK3BDYRK1AWNT1ROCK1
SCHEMBL9265566 0.85 HPGDS (0.45) KDM1AGSK3BDYRK1AWNT1EGLN1
SCHEMBL8535761 0.85 PIK3CD (0.43)
SCHEMBL9253063 0.84 KDM1A (0.45) KDM1AGSK3BDYRK1AWNT1MAOA
SCHEMBL8531382 0.84 GPR119 (0.43) SCN9AACACB
SCHEMBL9259070 0.83 DYRK1A (0.44) KDM1AGSK3BDYRK1AWNT1MAOA
SCHEMBL8535759 0.82 SCN9A (0.38) SCN9AROCK1HPGDSCSF1RFLT3
SCHEMBL9261132 0.81 GSK3B (0.41) KDM1AGSK3BDYRK1AWNT1MAOA
SCHEMBL9250864 0.80 HRH3 (0.46) KDM1AGSK3BDYRK1AWNT1

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-2012069917-A1 BICYCLIC GPR119 MODULATORS LUPIN LIMITED (IN) 2012-05-31 WO disclosed