SCHEMBL13797012

SCHEMBL13797012

CN(C)c1cccc2c(S(=O)(=O)NC[C@H]3CC[C@H](CNC(=N)N)CC3)cccc12

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.54
F2 P00734 2/20 0.51
PRSS1 P07477 2/20 0.51
PRSS2 P07478 2/20 0.51
PRSS3 P35030 2/20 0.51
NSD2 O96028 1/20 0.51
EPHX2 P34913 1/20 0.48
NPY5R Q15761 4/20 0.48
HTR4 Q13639 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
EDNRA P25101 1/20 0.46
NPY1R P25929 1/20 0.46
CA2 P00918 1/20 0.45

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
SCHEMBL14606663 0.85 GBA1 (0.56) GBA1F2PRSS1PRSS2PRSS3
SCHEMBL13796481 0.84 NPY5R (0.62) GBA1F2PRSS1PRSS2PRSS3
SCHEMBL13795998 0.76 NPY5R (0.51) GBA1F2NPY5RNPY1R
SCHEMBL13796785 0.76 GBA1 (0.47) GBA1NPY5RNPY1R
SCHEMBL13797033 0.76 GBA1 (0.47) GBA1NPY5RNPY1R
SCHEMBL7973287 0.75 NPY5R (0.48) GBA1NSD2EPHX2NPY5RHTR4
SCHEMBL10677948 0.74 F2 (0.62) GBA1F2PRSS1PRSS2PRSS3
SCHEMBL13713919 0.74 F2 (0.62) F2PRSS1PRSS2PRSS3NSD2
SCHEMBL13794173 0.73 NPY5R (0.71) GBA1NSD2NPY5RNPY1R
SCHEMBL13796004 0.73 NPY1R (0.62) NPY5RNPY1R

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
US-7544690-B2 MCH receptor antagonists TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-06-09 US disclosed
US-7544690-B2 MCH receptor antagonists TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-06-09 US disclosed