SCHEMBL4774664

SCHEMBL4774664

FC(F)Oc1ccccc1N1CC2C(C1)C2N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 3/20 0.38
ADRA1A P35348 3/20 0.38
ADRA1B P35368 3/20 0.38
DRD2 P14416 2/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
HTR1A P08908 1/20 0.33
SLC6A3 Q01959 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
APLNR P35414 1/20 0.32

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
SCHEMBL4779434 0.83 ADRA1D (0.48) ADRA1DADRA1AADRA1BDRD2DRD4
SCHEMBL4778958 0.83 ADRA1D (0.48) ADRA1DADRA1AADRA1BDRD2DRD4
SCHEMBL4776370 0.82 CHRM4 (0.42) DRD2DRD4DRD3SLC6A2SLC6A4
SCHEMBL4780574 0.80 CHRM4 (0.37)
SCHEMBL4778369 0.79 NOTUM (0.40) DRD2DRD4DRD3
SCHEMBL4780977 0.75 ALOX15 (0.38) ADRA1ADRD2SLC6A2SLC6A4HTR1A
SCHEMBL4780332 0.75 CHRM4 (0.38) DRD2DRD3SLC6A3
SCHEMBL4781028 0.75 KDM4E (0.43) ADRA1DADRA1AADRA1B
SCHEMBL4321609 0.74 GRM5 (0.42) ADRA1DADRA1AADRA1BDRD2DRD3
SCHEMBL4780326 0.74 CHRM4 (0.40) DRD2DRD3SLC6A2SLC6A4SLC6A3

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-2008010061-A2 3-AZABICYCLO [3.1.0] HEXANE VANILLOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS S.A. (US) 2008-01-24 WO disclosed