SCHEMBL5701232

SCHEMBL5701232

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
HSD17B10 Q99714 1/20 0.45
PDE4D Q08499 2/20 0.43
LMNA P02545 3/20 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
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 4/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 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
SCHEMBL6248353 0.85 ALDH1A1 (0.45) ALDH1A1HSD17B10PDE4DLMNAPKM
SCHEMBL3906143 0.83 MAOA (0.56) PDE4DPKMMAOAMAOBSLC6A4
SCHEMBL2881040 0.79 HSD17B10 (0.39) ALDH1A1HSD17B10LMNAMAPTTDP1
SCHEMBL3894249 0.78 POLB (0.43) ALDH1A1HSD17B10LMNAPKMMAPT
SCHEMBL22782303 0.75 MAOA (0.57) PDE4DLMNAPKMMAOAMAOB
SCHEMBL21255995 0.74 MAOA (0.66) PDE4DLMNAPKMMAOAMAOB
SCHEMBL6500345 0.72 MAPT (0.51) ALDH1A1HSD17B10LMNAPKMMAOB
SCHEMBL3493523 0.70 ALDH1A1 (0.44) ALDH1A1HSD17B10LMNAMAPTTSHR
SCHEMBL29837128 0.70 ALDH1A1 (0.44) ALDH1A1HSD17B10LMNAMAPTTSHR
SCHEMBL7759862 0.70 HSD17B10 (0.41) ALDH1A1HSD17B10LMNAMAPTTDP1

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-1687279-A1 7- [4-(4-CHLOROBENZYLOXY) BENZENESULFONYL]-8-METHOXY-3-METHYL-2,3,4,5-TETRAHYDRO-1H-3-BENZAZEPINIUM MALEATE OR TOSYLATE AS ANTIPSYCHOTICS GLAXO GROUP LIMITED (GB) 2006-08-09 EP disclosed
WO-2005051916-A1 7-[4-(4-CHLOROBENZYLOXY) BENZENESULFONYL]-8-METHOXY-3-METHYL-2,3,4,5-TETRAHYDRO-1H-3-BENZAZEPINIUM MALEATE OR TOSYLATE AS ANTIPSYCHOTICS GLAXO GROUP LIMITED (GB) 2005-06-09 WO disclosed