SCHEMBL8809168

SCHEMBL8809168

OC(c1ccc(F)cc1)C1CCN(CCCOc2ccc3ccccc3c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.60
HRH3 Q9Y5N1 7/20 0.57
SLC6A2 P23975 3/20 0.57
SLC6A4 P31645 3/20 0.57
HTR2C P28335 2/20 0.55
HTR7 P34969 2/20 0.55
CYP2D6 P10635 1/20 0.54
DRD3 P35462 2/20 0.54
HTR6 P50406 1/20 0.53

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
SCHEMBL10461703 0.89 SLC6A2 (0.59) HTR2AHRH3SLC6A2SLC6A4DRD3
SCHEMBL466855 0.89 HRH3 (0.71) HTR2AHRH3HTR2CHTR7CYP2D6
Water SCHEMBL10460336 0.88 SLC6A2 (0.58) HTR2AHRH3SLC6A2SLC6A4DRD3
SCHEMBL10560292 0.84 SLC6A2 (0.63) HRH3SLC6A2SLC6A4DRD3
SCHEMBL11358816 0.84 HTR2A (0.60) HTR2AHTR2CHTR7CYP2D6DRD3
SCHEMBL8808110 0.83 HTR2A (0.60) HTR2AHRH3HTR2CHTR7CYP2D6
Hydrochloric Acid SCHEMBL7253239 0.82 HTR2A (0.64) HTR2AHRH3HTR2CHTR7CYP2D6
SCHEMBL8808087 0.82 HTR2A (0.53) HTR2AHRH3HTR2CHTR7CYP2D6
Oxalic Acid SCHEMBL10460396 0.81 SLC6A2 (0.56) HRH3SLC6A2SLC6A4DRD3
Hydrochloric Acid SCHEMBL7413630 0.79 SLC6A2 (0.48) HTR2AHRH3SLC6A2SLC6A4DRD3

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
EP-0751936-A1 NEW 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES USEFUL AS MEDICAMENTS ACTING ON THE GLUTAMATE RECEPTOR SCHERING AKTIENGESELLSCHAFT (DE) 1997-01-08 EP disclosed
WO-1995025721-A1 NEW 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES USEFUL AS MEDICAMENTS ACTING ON THE GLUTAMATE RECEPTOR SCHERING AKTIENGESELLSCHAFT (DE) 1995-09-28 WO disclosed