SCHEMBL4531768

SCHEMBL4531768

CS(=O)(=O)c1ccc(-c2ccc3c(c2)COC(C2CCN(C(=O)CC(F)(F)F)CC2)O3)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
USP30 Q70CQ3 1/20 0.36
DPP4 P27487 2/20 0.35
DPP7 Q9UHL4 2/20 0.35
GPR119 Q8TDV5 7/20 0.35
CYP3A4 P08684 1/20 0.35
SLC9A1 P19634 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
EPHX2 P34913 1/20 0.34
PIK3CA P42336 2/20 0.34
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33

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
SCHEMBL4347874 0.89 KDM1A (0.41) KDM1AMAOAMAOBUSP30GPR119
SCHEMBL4360375 0.86 KDM1A (0.39) KDM1AMAOAMAOBUSP30GPR119
SCHEMBL4347925 0.86 USP30 (0.40) KDM1AMAOAMAOBUSP30DPP4
SCHEMBL4353455 0.84 KDM1A (0.43) KDM1AMAOAMAOBUSP30GPR119
SCHEMBL4354214 0.83 FKBP1A (0.42) MEN1KMT2A
SCHEMBL4353796 0.83 GPR119 (0.55) GPR119
SCHEMBL4349922 0.82 PTPN2 (0.43) CYP3A4SLC9A1PIK3CA
SCHEMBL4356473 0.82 PTPN2 (0.43) CYP3A4SLC9A1PIK3CA
SCHEMBL4537918 0.82 PTPN2 (0.43) CYP3A4SLC9A1PIK3CA
SCHEMBL4529650 0.81 KMT2A (0.39) KDM1AMAOAMAOBUSP30GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO disclosed
WO-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO disclosed