SCHEMBL904858

SCHEMBL904858

Fc1ccc(C(CCCN2CCC(N3Cc4ccccc4N=N3)CC2)c2ccc(F)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.51
HTR2C P28335 3/20 0.51
ADRA1A P35348 3/20 0.51
HRH1 P35367 3/20 0.51
OPRM1 P35372 3/20 0.51
DRD3 P35462 3/20 0.51
OPRD1 P41143 3/20 0.51
OPRK1 P41145 3/20 0.51
HTR6 P50406 3/20 0.51
SLC6A3 Q01959 3/20 0.51
CACNA1C Q13936 3/20 0.51
CACNA1F O60840 2/20 0.51
DRD1 P21728 2/20 0.51
DRD4 P21917 2/20 0.51
HRH2 P25021 2/20 0.51
CACNA1D Q01668 2/20 0.51
CACNA1S Q13698 2/20 0.51
SCN5A Q14524 2/20 0.51
MEN1 O00255 2/20 0.51
MLNR O43193 2/20 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
SCHEMBL904826 0.82 HTR2A (0.58) HTR2AHTR2CADRA1AHRH1OPRM1
SCHEMBL904876 0.82 HTR2A (0.51) HTR2AHTR2CADRA1AHRH1OPRM1
SCHEMBL904847 0.79 HTR2A (0.54) HTR2AHTR2CADRA1AHRH1OPRM1
SCHEMBL904918 0.78 OPRM1 (0.51) HTR2AHTR2CADRA1AHRH1OPRM1
SCHEMBL11192065 0.75 MEN1 (0.50) OPRM1OPRD1MEN1KMT2AKDM4E
SCHEMBL904839 0.74 DRD3 (0.54) HTR2AHTR2CADRA1AHRH1OPRM1
SCHEMBL905040 0.73 OPRM1 (0.51) HTR2AHTR2CADRA1AHRH1OPRM1
SCHEMBL7519553 0.73 OPRM1 (0.56) HTR2AHTR2CADRA1AHRH1OPRM1
SCHEMBL904939 0.73 HTR2A (0.57) HTR2AHTR2CADRA1AHRH1OPRM1
Hydrochloric Acid SCHEMBL7875692 0.72 KCNH2 (0.54) HTR2AHTR2CADRA1AHRH1OPRM1

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
WO-2011143444-A2 DIPHENYLBUTYPIPERIDINE AUTOPHAGY INDUCERS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-11-17 WO disclosed