SCHEMBL4776370

SCHEMBL4776370

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 5/20 0.42
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
BCHE P06276 3/20 0.35
ACHE P22303 3/20 0.35
BACE1 P56817 3/20 0.35
DRD2 P14416 3/20 0.34
DRD4 P21917 3/20 0.34
DRD3 P35462 3/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
NTRK1 P04629 1/20 0.34
HTR1A P08908 1/20 0.33
SLC6A3 Q01959 1/20 0.33
P2RX7 Q99572 1/20 0.33
HCAR1 Q9BXC0 2/20 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) DRD2DRD4DRD3SLC6A2SLC6A4
SCHEMBL4778958 0.83 ADRA1D (0.48) DRD2DRD4DRD3SLC6A2SLC6A4
SCHEMBL4774664 0.82 ADRA1D (0.38) DRD2DRD4DRD3SLC6A2SLC6A4
SCHEMBL4781028 0.81 KDM4E (0.43)
SCHEMBL4778369 0.79 NOTUM (0.40) CHRM4DRD2DRD4DRD3
SCHEMBL4779453 0.77 NOTUM (0.46) CHRM4UBE2MDCUN1D1DRD2DRD3
SCHEMBL4780332 0.75 CHRM4 (0.38) CHRM4UBE2MDCUN1D1DRD2DRD3
SCHEMBL4321609 0.74 GRM5 (0.42) CHRM4BCHEACHEBACE1DRD2
SCHEMBL4780326 0.74 CHRM4 (0.40) CHRM4UBE2MDCUN1D1DRD2DRD3
SCHEMBL4781031 0.73 GAA (0.40) BCHEACHEBACE1DRD2DRD4

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