SCHEMBL9003138

SCHEMBL9003138

CN(C)CCCOc1ccccc1CC(=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.61
DRD2 P14416 1/20 0.52
DRD1 P21728 1/20 0.52
DRD4 P21917 1/20 0.52
DRD5 P21918 1/20 0.52
ALDH1A1 P00352 1/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 3/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL6761026 0.84 DRD2 (0.62) HRH1DRD2DRD1DRD4DRD5
SCHEMBL8682147 0.83 L3MBTL1 (0.54) HRH1DRD2ALDH1A1MAPK1L3MBTL1
SCHEMBL8998047 0.83 HRH1 (0.64) HRH1DRD2DRD1DRD4DRD5
SCHEMBL8324677 0.82 L3MBTL1 (0.64) DRD2ALDH1A1MAPK1L3MBTL1KDM4E
SCHEMBL4845984 0.82 HRH1 (0.58) HRH1DRD2DRD1DRD4DRD5
SCHEMBL8015205 0.79 L3MBTL1 (0.61) ALDH1A1MAPK1L3MBTL1KDM4E
SCHEMBL5577016 0.77 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1LMNA
SCHEMBL11754849 0.77 HRH1 (1.00) HRH1DRD2DRD1DRD4DRD5
SCHEMBL5661211 0.76 TBXAS1 (0.53) DRD2ALDH1A1MAPK1L3MBTL1
Hydrochloric Acid SCHEMBL4310487 0.76 LTA4H (0.53) ALDH1A1MAPK1L3MBTL1LMNA

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
US-5508433-A Derivatives of perhydroisoindole and preparation thereof RHONE-POULENC RORER S.A. (FR) 1996-04-16 US disclosed
US-5451601-A Perhydroisoindole derivatives and pharmaceutical compositions containing them RHONE-POULENC RORER S.A. (FR) 1995-09-19 US disclosed