SCHEMBL9570917

SCHEMBL9570917

COc1ccc(Cl)cc1N1CCN(CC(O)CNC(c2ccccc2)(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.54
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
LMNA P02545 1/20 0.47
MAPT P10636 4/20 0.46
ALDH1A1 P00352 3/20 0.46
HTR1A P08908 2/20 0.46
HTR7 P34969 1/20 0.46
ADRA1D P25100 4/20 0.46
ADRA1A P35348 4/20 0.46
ADRA1B P35368 4/20 0.46
TP53 P04637 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CACNA1G O43497 1/20 0.46
KCNH2 Q12809 1/20 0.46
KDM4E B2RXH2 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45

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
SCHEMBL9017194 0.83 RECQL (0.69) RECQLDRD2DRD4LMNAMAPT
SCHEMBL9017189 0.80 RECQL (0.53) RECQLDRD2DRD4LMNAMAPT
SCHEMBL9017199 0.79 HTR3E (0.53) RECQLDRD2DRD4LMNAMAPT
SCHEMBL9195086 0.73 ADRA1D (0.63) RECQLDRD2LMNAHTR1AADRA1D
SCHEMBL9017186 0.71 ADRA1D (0.73) RECQLDRD2LMNAHTR1AADRA1D
Hydrochloric Acid SCHEMBL9586428 0.70 ADRA1D (0.72) RECQLDRD2LMNAHTR1AHTR7
SCHEMBL8828619 0.70 HTR3E (0.57) DRD2DRD4LMNAMAPTALDH1A1
SCHEMBL9570977 0.70 HTR3E (0.53) DRD2DRD4LMNAMAPTALDH1A1
SCHEMBL15961234 0.69 ADRA1D (0.63) DRD2DRD4ADRA1DADRA1AADRA1B
SCHEMBL7291084 0.69 RECQL (0.71) RECQLDRD2LMNAMAPTALDH1A1

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-5244901-A Multistage preparation by starting with a phenylpiperazine and an epoxide or chloro alcohol containing a phthalimido group; use to treat disorders involving hyperactivity of the alpha 1-adrenergic system SYNTHELABO (FR) 1993-09-14 US disclosed
EP-0522915-A1 Pyrimidine-4-carboxamide derivatives, their preparation and their use in therapeutics SYNTHELABO (FR) 1993-01-13 EP disclosed