SCHEMBL1997143

SCHEMBL1997143

C[C@H]1CN(Cc2ccc(NS(=O)(=O)c3ccc(-c4ccc(F)cc4)nc3)cc2)C[C@@](C)(C(C)(C)C)N1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLNR O43193 8/20 0.64
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
NR3C1 P04150 1/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
ESR2 Q92731 1/20 0.36
MOGAT2 Q3SYC2 1/20 0.35
HTR2C P28335 1/20 0.35
MCHR1 Q99705 1/20 0.35
SLC2A1 P11166 1/20 0.35
SCN9A Q15858 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL2000794 0.87 MLNR (0.45) MLNRKMT2AMEN1NPC1RAB9A
SCHEMBL1995199 0.85 MLNR (0.58) MLNRKMT2AMEN1NPC1RAB9A
SCHEMBL2856291 0.84 MLNR (0.75) MLNRKMT2AMEN1NPC1RAB9A
SCHEMBL2853455 0.82 MLNR (0.69) MLNRKMT2AMEN1NPC1RAB9A
SCHEMBL1997141 0.80 MLNR (0.68) MLNRKMT2AMEN1NPC1RAB9A
SCHEMBL1999746 0.79 MLNR (1.00) MLNRKMT2AMEN1NPC1RAB9A
SCHEMBL1995197 0.78 MLNR (0.63) MLNRKMT2AMEN1NPC1RAB9A
SCHEMBL1997887 0.77 MLNR (0.82) MLNR
SCHEMBL2003279 0.75 PRKAA2 (0.46) MLNRKMT2AMEN1NPC1RAB9A
SCHEMBL1997046 0.75 MEN1 (0.48) MLNRKMT2AMEN1NPC1RAB9A

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