SCHEMBL3422260

SCHEMBL3422260

O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(F)c1)N1CCCC1c1ccc(F)cc1.O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1F)N1CCCC1c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
LMNA P02545 2/20 0.40
TSHR P16473 1/20 0.40
HCRTR2 O43614 2/20 0.40
KCNA5 P22460 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RIPK1 Q13546 1/20 0.38
ALDH1A1 P00352 2/20 0.37
DPP4 P27487 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
CNR1 P21554 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.36
TRPA1 O75762 1/20 0.36
UTS2R Q9UKP6 1/20 0.36

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
SCHEMBL3424582 0.94 CRHBP (0.41) CRHBPCRHR2LMNATSHRHCRTR2
SCHEMBL1631802 0.93 KCNA5 (0.43) CRHBPCRHR2LMNATSHRHCRTR2
SCHEMBL1629153 0.93 HCRTR2 (0.44) CRHBPCRHR2LMNATSHRHCRTR2
SCHEMBL1629343 0.90 LMNA (0.44) CRHBPCRHR2LMNATSHRHCRTR2
SCHEMBL3427591 0.90 UTS2R (0.41) CRHBPCRHR2LMNATSHRHCRTR2
SCHEMBL1630025 0.89 LMNA (0.46) CRHBPCRHR2LMNATSHRHCRTR2
SCHEMBL1629105 0.88 HSD11B1 (0.45) CRHBPCRHR2LMNAHCRTR2KCNA5
SCHEMBL3424551 0.88 LMNA (0.49) CRHBPCRHR2LMNATSHRHCRTR2
SCHEMBL1630051 0.87 HCRTR2 (0.44) CRHBPCRHR2LMNATSHRHCRTR2
SCHEMBL1630647 0.87 CNR1 (0.43) CRHBPCRHR2LMNAHCRTR2MEN1

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
EP-2245006-A1 SULFONAMIDES AS OREXIN ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2010-11-03 EP disclosed
WO-2009092642-A1 SULFONAMIDES AS OREXIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-07-30 WO disclosed