SCHEMBL11289660

SCHEMBL11289660

O=C(CC1CCCCC1)NCCN1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 4/20 0.56
DRD2 P14416 2/20 0.56
POLB P06746 3/20 0.54
LMNA P02545 3/20 0.53
MAPT P10636 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ADRA1A P35348 1/20 0.52
HTR7 P34969 3/20 0.52
HTR2A P28223 2/20 0.52
HTR2C P28335 2/20 0.52
CHRM4 P08173 1/20 0.52
SIGMAR1 Q99720 1/20 0.51
ALOX12 P18054 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 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
SCHEMBL11431119 0.84 DRD3 (0.60) DRD3DRD2POLBLMNAMAPT
Hydrochloric Acid SCHEMBL11156556 0.83 ALDH1A1 (0.60) DRD3DRD2POLBLMNAMAPT
SCHEMBL13630154 0.83 NPSR1 (0.59) DRD3DRD2POLBLMNAMAPT
SCHEMBL13630155 0.83 NPSR1 (0.59) DRD3DRD2POLBLMNAMAPT
SCHEMBL4479824 0.83 NPSR1 (0.59) DRD3DRD2POLBLMNAMAPT
Fluprazine SCHEMBL2110425 0.82 DRD2 (0.62) DRD3DRD2POLBLMNAMAPT
SCHEMBL8272365 0.82 ALDH1A1 (0.63) DRD3DRD2POLBLMNAMAPT
Fluprazine SCHEMBL29445768 0.82 DRD2 (0.62) DRD3DRD2POLBLMNAMAPT
SCHEMBL11286375 0.81 MEN1 (0.59) DRD3DRD2POLBLMNAMAPT
SCHEMBL11289689 0.81 POLB (0.67) DRD3DRD2POLBLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0048045-A1 Phenyl piperazine derivatives having antiagressive activity DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1982-03-24 EP disclosed