SCHEMBL28246724

SCHEMBL28246724

CCCC(N)c1cc(F)c(F)cc1F

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.37
PDE2A O00408 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
ADRB2 P07550 1/20 0.31
CYP3A4 P08684 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
ADRA1A P35348 1/20 0.31
CFD P00746 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
SCHEMBL6283821 0.80 CFD (0.32) CA1CA2CFD
SCHEMBL20993305 0.77 DPP4 (0.34) DPP4PDE2AADRB2
SCHEMBL14244276 0.76 DPP4 (0.40) DPP4CA1CA2CYP3A4ADRA2C
SCHEMBL2318494 0.75 DPP4 (0.31) DPP4
SCHEMBL28021058 0.74 ADRB2 (0.36) DPP4ADRB2CYP3A4HSD17B10ADRA2A
SCHEMBL8515283 0.74 ADRB2 (0.36) DPP4ADRB2CYP3A4HSD17B10ADRA2A
SCHEMBL14981225 0.74 DPP4 (0.35) DPP4ADRB2CYP3A4HSD17B10ADRA2A
SCHEMBL172519 0.73 IDO1 (0.41) CYP3A4CFD
SCHEMBL14983875 0.73 DPP4 (0.36) DPP4PDE2ACFD
SCHEMBL24222540 0.72 CFD (0.38) CFD

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
CN-105073983-B Immobilization transaminase and preparation and the method for using immobilization transaminase 默沙东公司 2018-09-18 CN disclosed