SCHEMBL8805802

SCHEMBL8805802

CN(C)c1cccc(OCCN2CCC(C(=O)c3ccc(F)cc3)CC2)c1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.60
DRD2 P14416 1/20 0.54
HTR2A P28223 4/20 0.52
HTR2C P28335 2/20 0.52
HTR7 P34969 2/20 0.52
HTR6 P50406 2/20 0.52
KDM4E B2RXH2 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49

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
SCHEMBL8805772 0.95 DRD2 (0.61) HSD11B1DRD2HTR2AHTR2CHTR7
SCHEMBL8808595 0.94 HSD11B1 (0.58) HSD11B1DRD2HTR2AHTR2CHTR7
SCHEMBL8807468 0.87 DRD2 (0.58) DRD2HTR2AKDM4ECYP1A2CYP3A4
SCHEMBL8812016 0.85 ADRB2 (0.57) HSD11B1CYP2D6
SCHEMBL8807551 0.84 DRD2 (0.57) DRD2HTR2AHTR2CHTR7HTR6
SCHEMBL8813180 0.83 HSD11B1 (0.55) HSD11B1DRD2HTR2AHTR2CHTR7
SCHEMBL7247226 0.83 HTR2A (0.66) DRD2HTR2AHTR2CHTR7HTR6
SCHEMBL8805341 0.82 DRD2 (0.62) DRD2
SCHEMBL8805880 0.82 HSD11B1 (0.53) HSD11B1DRD2HTR2AHTR2CHTR7
Hydrochloric Acid SCHEMBL7247113 0.81 HTR2A (0.64) DRD2HTR2AHTR2CHTR7HTR6

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