SCHEMBL1995582

SCHEMBL1995582

CC(C)(C)[C@@]1(C)CN(Cc2ccc(NS(=O)(=O)c3ccc(N4CCCCC4)nc3)cc2)CCN1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLNR O43193 3/20 0.57
LMNA P02545 2/20 0.42
MAPT P10636 4/20 0.39
TP53 P04637 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
GAA P10253 4/20 0.37
MEN1 O00255 1/20 0.37
SLC2A1 P11166 1/20 0.37
CYP2C9 P11712 1/20 0.37
DRD3 P35462 1/20 0.37
HTR6 P50406 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GFER P55789 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NAMPT P43490 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL1999380 0.92 MEN1 (0.48) MLNRLMNAMAPTKMT2APOLB
SCHEMBL1996929 0.88 KDM4E (0.46) MLNRLMNAMAPTKMT2AGAA
SCHEMBL2003279 0.83 PRKAA2 (0.46) MLNRLMNAKMT2AGAAMEN1
SCHEMBL1995199 0.83 MLNR (0.58) MLNRLMNAMAPTKMT2APOLB
SCHEMBL1998344 0.83 MLNR (0.44) MLNRLMNAMAPTKMT2AGAA
SCHEMBL2002044 0.80 MLNR (0.42) MLNRLMNAKMT2AGAAMEN1
SCHEMBL1999298 0.80 PRKAA2 (0.43) MLNRLMNAMAPTKMT2AGAA
SCHEMBL1997046 0.80 MEN1 (0.48) MLNRLMNAMAPTKMT2APOLB
SCHEMBL1995581 0.78 MLNR (0.62) MLNRLMNAMAPTTP53KMT2A
SCHEMBL2849659 0.78 MLNR (0.70) MLNRLMNAMAPTTP53KMT2A

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
US-7964597-B2 Piperazinyl-sulfonamide derivatives useful in the treatment of GPR38 receptor mediated diseases GLAXO GROUP LIMITED (GB) 2011-06-21 US disclosed