SCHEMBL4353464

SCHEMBL4353464

CS(=O)(=O)c1ccc(-c2ccc3c(c2)COC(C2CCN(C(=O)C(c4ccccc4)c4ccccc4)CC2)O3)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.37
USP9X Q93008 6/20 0.37
DPP4 P27487 2/20 0.37
DPP7 Q9UHL4 2/20 0.37
AGTR2 P50052 1/20 0.36
USP30 Q70CQ3 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
SRD5A1 P18405 1/20 0.35
NPY2R P49146 1/20 0.35
EPHX2 P34913 1/20 0.35
TSHR P16473 1/20 0.34
CNR1 P21554 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C1 Q04828 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL4347925 0.87 USP30 (0.40) DPP4DPP7USP30NPY2REPHX2
SCHEMBL4349922 0.86 PTPN2 (0.43) CYP3A4TSHRALDH1A1SMN1; SMN2
SCHEMBL4356473 0.86 PTPN2 (0.43) CYP3A4TSHRALDH1A1SMN1; SMN2
SCHEMBL4537918 0.86 PTPN2 (0.43) CYP3A4TSHRALDH1A1SMN1; SMN2
SCHEMBL4362452 0.85 EPHX2 (0.37) DPP4USP30NPY2REPHX2AKR1C3
SCHEMBL4355152 0.84 CHRM2 (0.38) USP30ALDH1A1SMN1; SMN2
SCHEMBL4347874 0.83 KDM1A (0.41) USP30EPHX2
SCHEMBL4526460 0.82 SMN1; SMN2 (0.43) NPY2RSMN1; SMN2
SCHEMBL4347963 0.81 NPC1 (0.46) TSHRAKR1C1ALDH1A1
SCHEMBL4356151 0.81 GAA (0.42) EPHX2SMN1; SMN2

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

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