SCHEMBL4780326

SCHEMBL4780326

Fc1cc(F)c(N2CC3C(C2)C3N(Cc2ccccc2)Cc2ccccc2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.40
HTT P42858 1/20 0.34
RORC P51449 7/20 0.33
DPP4 P27487 3/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
UBE2M P61081 1/20 0.32
DCUN1D1 Q96GG9 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 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
SCHEMBL4321609 0.86 GRM5 (0.42) CHRM4RORCDPP4DRD2DRD3
SCHEMBL4778369 0.86 NOTUM (0.40) CHRM4DRD2DRD3KDM4EALDH1A1
SCHEMBL4781178 0.84 UBE2M (0.39) RORCUBE2MDCUN1D1ALDH1A1SMN1; SMN2
SCHEMBL4779787 0.84 FFAR4 (0.38) DPP4UBE2MDCUN1D1DPP8DPP9
SCHEMBL4776176 0.82 FFAR4 (0.40) SLC6A2SLC6A4SLC6A3UBE2MDCUN1D1
SCHEMBL4774338 0.82 DRD2 (0.32) CHRM4HTTRORCDPP4DRD2
SCHEMBL4775240 0.82 MEN1 (0.41) HTTRORCDPP4UBE2MDCUN1D1
SCHEMBL4780332 0.82 CHRM4 (0.38) CHRM4SLC6A3UBE2MDCUN1D1DRD2
SCHEMBL4779536 0.82 DRD2 (0.32) CHRM4HTTRORCDPP4DRD2
SCHEMBL4779333 0.81 CHRM4 (0.39) CHRM4DPP4UBE2MDCUN1D1DPP8

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