SCHEMBL1869313

SCHEMBL1869313

CCN1CCCC1C(=O)N[C@@H](Cc1ccc(F)c(F)c1)C(=O)NCc1cnc2[nH]ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 1/20 0.42
KLKB1 P03952 5/20 0.39
CHRNA7 P36544 1/20 0.37
METAP2 P50579 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TACR1 P25103 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
DPP4 P27487 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL1871181 0.91 MASP2 (0.43) MASP2KLKB1CHRNA7METAP2ALDH1A1
SCHEMBL1874196 0.91 MASP2 (0.43) MASP2KLKB1CHRNA7METAP2ALDH1A1
SCHEMBL1860917 0.89 MASP2 (0.44) MASP2KLKB1CHRNA7METAP2ALDH1A1
SCHEMBL1867433 0.89 MASP2 (0.42) MASP2KLKB1CHRNA7METAP2ALDH1A1
SCHEMBL1869822 0.87 MASP2 (0.43) MASP2KLKB1CHRNA7METAP2ALDH1A1
Trifluoroacetic Acid SCHEMBL1873249 0.87 DPP4 (0.43) MASP2KLKB1CHRNA7TACR1MEN1
SCHEMBL1867033 0.85 MASP2 (0.43) MASP2KLKB1CHRNA7
SCHEMBL1432630 0.85 DPP4 (0.39) MASP2KLKB1ALDH1A1LMNAMEN1
SCHEMBL1431769 0.85 DPP4 (0.39) MASP2KLKB1ALDH1A1LMNAMEN1
SCHEMBL1870902 0.84 MASP2 (0.43) MASP2KLKB1CHRNA7METAP2TACR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011051672-A1 AZAINDOLE DERIVATIVES VANTIA LIMITED (GB) 2011-05-05 WO claimed
WO-2011051672-A1 AZAINDOLE DERIVATIVES VANTIA LIMITED (GB) 2011-05-05 WO disclosed