SCHEMBL9026181

SCHEMBL9026181

CC(C)Cc1c(OCc2ccccc2)nc(CI)c(OC2CCCCC2)[n+]1[O-]

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.33
SLC6A4 P31645 6/20 0.33
HTR2A P28223 4/20 0.33
PDE4A P27815 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CNR2 P34972 2/20 0.32
CNR1 P21554 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
C5AR1 P21730 1/20 0.32
CTSL P07711 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
LNPEP Q9UIQ6 1/20 0.30
ACACB O00763 2/20 0.30

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
SCHEMBL9025976 0.91 PDE4A (0.35) HTR2CSLC6A4HTR2APDE4AL3MBTL1
SCHEMBL9026300 0.87 PDE4A (0.33) HTR2CSLC6A4HTR2APDE4AL3MBTL1
SCHEMBL9026486 0.84 ALDH1A1 (0.36) HTR2CSLC6A4HTR2AL3MBTL1ALDH1A1
SCHEMBL9026203 0.83 KCNA5 (0.36) ALDH1A1LMNAMAPK1HTT
SCHEMBL9026771 0.83 ALDH1A1 (0.36) HTR2CSLC6A4HTR2AL3MBTL1ALDH1A1
SCHEMBL9027027 0.81 LMNA (0.34) L3MBTL1ALDH1A1LMNAHPGDTSHR
SCHEMBL9026981 0.79 ALDH1A1 (0.37) HTR2CSLC6A4HTR2AL3MBTL1CNR2
SCHEMBL9027108 0.79 ALDH1A1 (0.37) PDE4AL3MBTL1ALDH1A1LMNAHPGD
SCHEMBL27257382 0.79 ALDH1A1 (0.37) L3MBTL1ALDH1A1LMNAHPGDTSHR
SCHEMBL9025945 0.78 LMNA (0.36) L3MBTL1ALDH1A1LMNAHPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0411150-B1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMA CO LTD (JP) 1996-11-27 EP disclosed
CN-1024797-C Indole derivatives OTSUKA CHEMICAL CO LTD (JP) 1994-06-01 CN disclosed
US-5238938-A Nephrosis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-08-24 US disclosed
CN-1049155-A INDOLE DERIVATIVES OTSUKA CHEMICAL CO LTD (JP) 1991-02-13 CN disclosed
EP-0411150-A1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-02-06 EP disclosed