SCHEMBL1380174

SCHEMBL1380174

CCCCS(=O)(=O)N(OC(=O)C(F)(F)F)c1cc2cccnc2c(N2CCNCC2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAD52 P43351 1/20 0.36
▸ UBE2N P61088 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ HTR6 P50406 3/20 0.35
▸ HTR1A P08908 2/20 0.35
▸ DRD2 P14416 2/20 0.35
▸ HTR7 P34969 2/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ PRKD1 Q15139 1/20 0.34
▸ PIK3CD O00329 2/20 0.34
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ HRH1 P35367 6/20 0.33
▸ KCNH2 Q12809 6/20 0.33
▸ OPRD1 P41143 3/20 0.33
▸ OPRM1 P35372 2/20 0.33
▸ OPRK1 P41145 2/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ TYRO3 Q06418 1/20 0.33

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
SCHEMBL1380517 0.81 L3MBTL1 (0.37) RAD52UBE2NL3MBTL1HTR6HTR1A
SCHEMBL1380633 0.81 HSD11B1 (0.41) RAD52UBE2NL3MBTL1HTR6HTR1A
SCHEMBL1379816 0.80 ALDH1A1 (0.37) RAD52UBE2NL3MBTL1HTR6HTR7
SCHEMBL1381623 0.80 HTR6 (0.41) RAD52UBE2NL3MBTL1HTR6HTR1A
Trifluoroacetic Acid SCHEMBL1380171 0.76 L3MBTL1 (0.43) RAD52UBE2NL3MBTL1HTR6HTR1A
SCHEMBL3619544 0.72 PRKD1 (0.44) HTR6HTR1ADRD2HTR7PRKD1
Trifluoroacetic Acid SCHEMBL1379813 0.64 HTR6 (0.47) HTR6
SCHEMBL7045566 0.64 PRKD1 (0.49) HTR6HTR1ADRD2HTR7EPHX2
SCHEMBL10571731 0.64 PRKD1 (0.49) L3MBTL1EPHX2PRKD1PIK3CDHTR2A
SCHEMBL6637840 0.64 HTR2C (0.51) HTR6HTR1ADRD2EPHX2PRKD1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4731114-B2 — — 2011-07-20 — — JP claimed
EP-1412325-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS, PROCESS FOR THEIR USE AS MEDICAMENT FOR THE TREATMENT OF CNS DISORDERS, OBESITY AND TYPE II DIABETES BIOVITRUM AB (SE) 2004-04-28 — — EP claimed
WO-2002100822-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS, PROCESS FOR THEIR USE AS MEDICAMENT FOR THE TREATMENT OF CNS DISORDERS, OBESITY AND TYPE II DIABETES BIOVITRUM AB (SE) 2002-12-19 — — WO claimed
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