SCHEMBL6248353

SCHEMBL6248353

CCOc1cc2c(cc1S(=O)(=O)F)CCN(C)CC2

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
HSD17B10 Q99714 1/20 0.45
PDE4D Q08499 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 2/20 0.41
PKM P14618 1/20 0.41
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
SLC6A4 P31645 1/20 0.41
TSHR P16473 7/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HRH3 Q9Y5N1 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
SCHEMBL5701232 0.85 ALDH1A1 (0.45) ALDH1A1HSD17B10PDE4DTDP1LMNA
SCHEMBL3897270 0.83 MAOA (0.56) PDE4DPKMMAOAMAOBSLC6A4
SCHEMBL3894249 0.80 POLB (0.43) ALDH1A1HSD17B10LMNAPKMTSHR
SCHEMBL3895331 0.79 ESR1 (0.52) ALDH1A1HSD17B10PDE4DLMNAPKM
SCHEMBL6500345 0.75 MAPT (0.51) ALDH1A1HSD17B10LMNAPKMMAOB
SCHEMBL21255995 0.74 MAOA (0.66) PDE4DLMNAPKMMAOAMAOB
SCHEMBL5480307 0.74 MAOA (0.46) PDE4DMAOAMAOBSLC6A4TSHR
SCHEMBL22782303 0.72 MAOA (0.57) PDE4DLMNAPKMMAOAMAOB
SCHEMBL3897281 0.70 HRH3 (0.46) ALDH1A1TDP1LMNAPKMMAOA
SCHEMBL21255908 0.70 MAOA (0.78) PDE4DLMNAPKMMAOAMAOB

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
WO-2005051399-A1 7-PHENYLSULFONYL-TETRAHYDRO-3-BENZAZEPINE DERIVATIVES AS ANTIPSYCHOTIC AGENTS GLAXO GROUP LIMITED (GB) 2005-06-09 WO disclosed