SCHEMBL8998047

SCHEMBL8998047

CN(C)CCCOc1ccccc1CC(=O)O

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.64
KDM4E B2RXH2 3/20 0.56
DRD2 P14416 1/20 0.54
DRD1 P21728 1/20 0.54
DRD4 P21917 1/20 0.54
DRD5 P21918 1/20 0.54
LMNA P02545 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
HTR1B P28222 1/20 0.51

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
SCHEMBL9265203 0.86 L3MBTL1 (0.50) HRH1KDM4ELMNAL3MBTL1
SCHEMBL9273006 0.85 DRD2 (0.56) HRH1KDM4EDRD2DRD1LMNA
SCHEMBL9268725 0.84 L3MBTL1 (0.48) HRH1KDM4EL3MBTL1
SCHEMBL3485836 0.83 L3MBTL1 (0.55) L3MBTL1
SCHEMBL9003138 0.83 HRH1 (0.61) HRH1KDM4EDRD2DRD1DRD4
SCHEMBL11396736 0.82 HRH1 (0.57) HRH1KDM4EDRD2DRD1DRD4
SCHEMBL2406964 0.81 PPARG (0.56) LMNAL3MBTL1
SCHEMBL8084869 0.81 L3MBTL1 (0.57) L3MBTL1
SCHEMBL8080247 0.80 MEN1 (0.57) LMNAL3MBTL1
SCHEMBL8072236 0.80 MEN1 (0.57) LMNAL3MBTL1

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
US-5508433-A Derivatives of perhydroisoindole and preparation thereof RHONE-POULENC RORER S.A. (FR) 1996-04-16 US disclosed
US-5484942-A Thiopyranopyrrole derivatives RHONE-POULENC RORER S.A. (FR) 1996-01-16 US disclosed
US-5451601-A Perhydroisoindole derivatives and pharmaceutical compositions containing them RHONE-POULENC RORER S.A. (FR) 1995-09-19 US disclosed