SCHEMBL4965833

SCHEMBL4965833

COc1ccc(S(=O)(=O)Nc2ccc3ccccc3n2)c2c1CC(NC(=O)C(F)(F)F)CC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.39
HTR6 P50406 1/20 0.38
QRFPR Q96P65 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MTNR1A P48039 5/20 0.37
MTNR1B P49286 5/20 0.37
CASP3 P42574 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD11B1 P28845 1/20 0.36
HSD17B2 P37059 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
ACHE P22303 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL4510831 1.00 PKM (0.39) PKMHTR6QRFPRNPC1RAB9A
SCHEMBL4514462 0.86 ALDH1A1 (0.48) HTR6QRFPRMTNR1AMTNR1BKDM4E
SCHEMBL4515527 0.86 HTR6 (0.39) HTR6QRFPRMTNR1AMTNR1BHSD11B1
SCHEMBL4521478 0.85 ALPL (0.55)
SCHEMBL4964720 0.85 ALPL (0.55)
SCHEMBL4510840 0.84 HSD11B1 (0.48) HTR6QRFPRMTNR1AMTNR1BHSD11B1
SCHEMBL4503366 0.83 ALDH1A1 (0.50) HTR6QRFPRNPC1RAB9AMTNR1A
SCHEMBL4519515 0.83 MTNR1A (0.42) HTR6QRFPRMTNR1AMTNR1BHSD11B1
SCHEMBL4515651 0.80 HTR6 (0.59) PKMHTR6QRFPRNPC1RAB9A
SCHEMBL4518286 0.80 ALPL (0.51) ALDH1A1

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-1888518-A1 NOVEL 8-SULFONYL-3 AMINOSUBSTITUTED CHROMAN OR TETRAHYDRONAPHTALENE DERIVATIVES MODULATING THE 5HT6 RECEPTOR AstraZeneca AB (SE) 2008-02-20 EP disclosed
WO-2006126938-A1 NOVEL 8-SULFONYL-3 AMINOSUBSTITUTED CHROMAN OR TETRAHYDRONAPHTALENE DERIVATIVES MODULATING THE 5HT6 RECEPTOR ASTRAZENECA AB (SE) 2006-11-30 WO disclosed