SCHEMBL4774338

SCHEMBL4774338

Fc1ccc(N2CC3C(C2)C3N(Cc2ccccc2)Cc2ccccc2)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
KDM1A O60341 2/20 0.31
HTT P42858 1/20 0.31
RORC P51449 2/20 0.31
AMPD2 Q01433 1/20 0.31
CHRM4 P08173 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL4779536 1.00 DRD2 (0.32) DRD2DRD3KDM4EALDH1A1SMN1; SMN2
SCHEMBL4780332 0.89 CHRM4 (0.38) DRD2DRD3KDM4EALDH1A1SMN1; SMN2
SCHEMBL4778369 0.85 NOTUM (0.40) DRD2DRD3KDM4EALDH1A1SMN1; SMN2
SCHEMBL4321609 0.83 GRM5 (0.42) DRD2DRD3ALDH1A1DPP4DPP8
SCHEMBL4780326 0.82 CHRM4 (0.40) DRD2DRD3KDM4EALDH1A1SMN1; SMN2
SCHEMBL4781178 0.81 UBE2M (0.39) ALDH1A1SMN1; SMN2RORC
SCHEMBL4779787 0.81 FFAR4 (0.38) DPP4DPP8DPP9DPP7
SCHEMBL4779453 0.80 NOTUM (0.46) DRD2DRD3KDM4EALDH1A1CHRM4
SCHEMBL4779333 0.80 CHRM4 (0.39) DPP4DPP8DPP9DPP7CHRM4
SCHEMBL4774390 0.79 KDM4E (0.40) DRD2DRD3KDM4EALDH1A1SMN1; SMN2

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