SCHEMBL2938108

SCHEMBL2938108

CS(=O)(=O)c1ccc(N2CCC(c3nc(C4CCN(C(=O)O)CC4)no3)C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.49
GPR119 Q8TDV5 11/20 0.48
EPHX1 P07099 1/20 0.44
EPHX2 P34913 1/20 0.44
KCNH2 Q12809 1/20 0.44
HSD11B1 P28845 1/20 0.41
AKR1C3 P42330 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39

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
SCHEMBL4554003 0.96 USP30 (0.49) USP30GPR119EPHX1EPHX2KCNH2
SCHEMBL2936390 0.87 GPR119 (0.62) GPR119
SCHEMBL2936389 0.87 GPR119 (0.62) GPR119
SCHEMBL2930818 0.85 GPR119 (0.46) USP30GPR119EPHX1EPHX2KCNH2
SCHEMBL2938422 0.85 USP30 (0.44) USP30GPR119EPHX1EPHX2KCNH2
SCHEMBL2938418 0.85 USP30 (0.44) USP30GPR119EPHX1EPHX2KCNH2
SCHEMBL2930817 0.85 GPR119 (0.46) USP30GPR119EPHX1EPHX2KCNH2
SCHEMBL2939940 0.85 GPR119 (0.50) USP30GPR119EPHX1EPHX2KCNH2
SCHEMBL2937898 0.84 USP30 (0.44) USP30GPR119EPHX1EPHX2KCNH2
SCHEMBL2937900 0.83 GPR119 (0.62) GPR119

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
EP-2134704-B1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2010-09-22 EP claimed