SCHEMBL8808087

SCHEMBL8808087

CN(C)c1cccc(OCCCN2CCC(C(O)c3ccc(F)cc3)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.53
HTR2C P28335 2/20 0.51
HTR7 P34969 2/20 0.51
HRH3 Q9Y5N1 2/20 0.51
CYP2D6 P10635 1/20 0.51
EPHX2 P34913 1/20 0.48
HTR6 P50406 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
SCHEMBL466855 0.83 HRH3 (0.71) HTR2AHTR2CHTR7HRH3CYP2D6
SCHEMBL8809168 0.82 HTR2A (0.60) HTR2AHTR2CHTR7HRH3CYP2D6
SCHEMBL8805772 0.80 DRD2 (0.61) HTR2AHTR2CHTR7HRH3CYP2D6
SCHEMBL8808595 0.78 HSD11B1 (0.58) HTR2AHTR2CHTR7CYP2D6EPHX2
SCHEMBL10719633 0.77 ALDH1A1 (0.55) HTR2AHTR7HRH3HTR6
SCHEMBL10560195 0.77 HTR1A (0.51) HTR2AHTR7HRH3EPHX2HTR6
SCHEMBL10459423 0.76 HRH3 (0.56) HRH3
Hydrochloric Acid SCHEMBL7253239 0.76 HTR2A (0.64) HTR2AHTR2CHTR7HRH3CYP2D6
SCHEMBL8808110 0.76 HTR2A (0.60) HTR2AHTR2CHTR7HRH3CYP2D6
Water SCHEMBL10461590 0.76 HRH3 (0.55) HRH3

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